Evidence map›Paper›PMID 40274264›Full record

ArticleJournal of medicinal chemistry2025

Exploring Simple Drug Scaffolds from the Generated Database Chemical Space Reveals a Chiral Bicyclic Azepane with Potent Neuropharmacology.

Aline Carrel, Adonis Yiannakas, Jaap-Jan Roukens, Ines Reynoso-Moreno, Markus Orsi, Amol Thakkar, Josep Arus-Pous, Daniele Pellegata, Jürg Gertsch, Jean-Louis Reymond

Erratum issuedAbstract read
PubMed Full text at PMC Publisher
In one paragraph

Article in Journal of medicinal chemistry, 2025. The graph could read no effect estimate from its abstract, so it casts no vote on the map. An erratum has been issued. Cited by 3 papers.

0numbers the graph read from it
0cells of the map it votes in
3citing 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

3 citing papers in PubMed.

  1. Article
  2. Review
  3. A View on Molecular Complexity from the GDB Chemical Space.Journal of chemical information and modeling · 2025
    Review
4 · The record

Corrections and comments

5 · Who and what money

Authors and funding

10 authors.

Aline CarrelDepartment of Chemistry, Biochemistry and Pharmaceutical Sciences, University of Bern, Freiestrasse 3, Bern 3012, Switzerland.
Adonis YiannakasInstitute of Biochemistry and Molecular Medicine, University of Bern, Gertrud-Woker Strasse 5, Bern 3012, Switzerland.
Jaap-Jan RoukensInstitute of Biochemistry and Molecular Medicine, University of Bern, Gertrud-Woker Strasse 5, Bern 3012, Switzerland.
Ines Reynoso-MorenoInstitute of Biochemistry and Molecular Medicine, University of Bern, Gertrud-Woker Strasse 5, Bern 3012, Switzerland.
Markus OrsiDepartment of Chemistry, Biochemistry and Pharmaceutical Sciences, University of Bern, Freiestrasse 3, Bern 3012, Switzerland.
Amol ThakkarDepartment of Chemistry, Biochemistry and Pharmaceutical Sciences, University of Bern, Freiestrasse 3, Bern 3012, Switzerland.
Josep Arus-PousDepartment of Chemistry, Biochemistry and Pharmaceutical Sciences, University of Bern, Freiestrasse 3, Bern 3012, Switzerland.
Daniele PellegataInstitute of Biochemistry and Molecular Medicine, University of Bern, Gertrud-Woker Strasse 5, Bern 3012, Switzerland.
Jürg GertschInstitute of Biochemistry and Molecular Medicine, University of Bern, Gertrud-Woker Strasse 5, Bern 3012, Switzerland.ORCID 0000-0003-0978-1555
Jean-Louis ReymondDepartment of Chemistry, Biochemistry and Pharmaceutical Sciences, University of Bern, Freiestrasse 3, Bern 3012, Switzerland.ORCID 0000-0003-2724-2942

Funding

No grant is acknowledged in the PubMed record.

6 · The paper itself

Abstract

To assess how much structural diversity remains unexploited in simple drug scaffolds, we investigated ring systems functionalized with amine handles. Starting from the ring systems database GDB-4c, we enumerated 1139 possible amines and diamines with up to two five-, six-, or seven-membered rings. From the 680 cases not listed in PubChem, we synthesized several unprecedented

Indexed as

AzepinesAnimalsDopamine Plasma Membrane Transport ProteinsHumansMaleMiceNorepinephrine Plasma Membrane Transport ProteinsStereoisomerismStructure-Activity RelationshipAzepinesDopamine Plasma Membrane Transport ProteinsNorepinephrine Plasma Membrane Transport Proteins

Identifiers

PMID40274264
PMCPMC12067442

What OpenQuestion holds

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LicenceCC BY
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Registered trials

None linked

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.