Evidence map›Paper›PMID 36545433›Full record

ArticleRSC medicinal chemistry2022

Exploration of piperidine 3D fragment chemical space: synthesis and 3D shape analysis of fragments derived from 20 regio- and diastereoisomers of methyl substituted pipecolinates.

S Paul Jones, James D Firth, Mary C Wheldon, Masakazu Atobe, Roderick E Hubbard, David C Blakemore, Claudia De Fusco, Simon C C Lucas, Stephen D Roughley, Lewis R Vidler and 4 more

Abstract read
In one paragraph

Article in RSC medicinal chemistry, 2022. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 4 papers.

0numbers the graph read from it
0cells of the map it votes in
4citing papers in PubMed
–field-weighted citation impact
1 · What the graph read from it

What it found

Each row is one number read from the abstract, on the scale the paper reported it, with its interval. Left of the dashed line favours the treatment, right favours the comparator. Under each row is the sentence it came from. New to these charts? A ten-minute tutorial.

The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.

2 · The registry

The trial behind it

Trials whose registry record cites this paper, or whose number appears in the abstract. A trial that started after this paper was published is citing it as background, not reporting it.

Neither the registry nor the abstract names a trial number. If this is a trial report, that itself is worth knowing.

3 · Its place in the literature

Who cites it

4 citing papers in PubMed.

  1. Iridium-Catalyzed Ionic Hydrogenation of Multi-Aza Heterocycles.Angewandte Chemie (International ed. in English) · 2026
    Article
  2. Article
  3. Article
  4. Article
4 · The record

Corrections and comments

PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.

5 · Who and what money

Authors and funding

14 authors.

S Paul JonesDepartment of Chemistry, University of York Heslington York YO10 5DD UK peter.obrien@york.ac.uk.
James D FirthDepartment of Chemistry, University of York Heslington York YO10 5DD UK peter.obrien@york.ac.uk.ORCID https://orcid.org/0000-0003-2283-552X
Mary C WheldonDepartment of Chemistry, University of York Heslington York YO10 5DD UK peter.obrien@york.ac.uk.
Masakazu AtobeDepartment of Chemistry, University of York Heslington York YO10 5DD UK peter.obrien@york.ac.uk.
Roderick E HubbardDepartment of Chemistry, University of York Heslington York YO10 5DD UK peter.obrien@york.ac.uk.ORCID https://orcid.org/0000-0002-8233-7461
David C BlakemoreMedicine Design, Pfizer Inc. 445 Eastern Point Road Groton CT 06340 USA.
Claudia De FuscoBayer AG, Research and Development, Pharmaceuticals, Synthetic Modalities 13353 Berlin Germany.
Simon C C LucasHit Discovery, Discovery Sciences, R&D, AstraZeneca Cambridge CB4 0WG UK.ORCID https://orcid.org/0000-0002-9172-8739
Stephen D RoughleyVernalis (R&D) Ltd. Granta Park, Abington Cambridge CB21 6GB UK.ORCID https://orcid.org/0000-0003-0683-5693
Lewis R VidlerAmphista Therapeutics The Cori Building, Granta Park, Great Abington Cambridge CB21 6GQ UK.
Maria Ann WhattonEvotec (UK) Ltd Dorothy Crowfoot Hodgkin Campus, 114 Innovation Drive, Milton Park, Abingdon Oxon OX14 4RZ UK.
Alison J-A WoolfordAstex Pharmaceuticals 436 Cambridge Science Park, Milton Road Cambridge CB4 0QA UK.ORCID https://orcid.org/0000-0002-6453-5819
Gail L WrigleyMedicinal Chemistry, Oncology R&D, AstraZeneca Cambridge UK.
Peter O'BrienDepartment of Chemistry, University of York Heslington York YO10 5DD UK peter.obrien@york.ac.uk.ORCID https://orcid.org/0000-0002-9966-1962

Funding

No grant is acknowledged in the PubMed record.

6 · The paper itself

Abstract

Fragment-based drug discovery is now widely adopted for lead generation in the pharmaceutical industry. However, fragment screening collections are often predominantly populated with flat, 2D molecules. Herein, we report the synthesis of piperidine-based 3D fragment building blocks - 20 regio- and diastereoisomers of methyl substituted pipecolinates using simple and general synthetic methods.

Identifiers

PMID36545433
PMCPMC9749955

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Registered trials

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Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.