SCHEMBL286403

SCHEMBL286403

Cc1onc(-c2ccc(F)cc2)c1CO

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 13/20 0.52
PTGS2 P35354 3/20 0.48
KMT2A Q03164 1/20 0.47
ATM Q13315 1/20 0.47
THRB P10828 1/20 0.44
PTGS1 P23219 1/20 0.44
GPBAR1 Q8TDU6 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL20771160 0.89 GABRA5 (0.44) GABRA5PTGS2KMT2AATMPTGS1
SCHEMBL2925549 0.86 ALDH1A1 (0.48) GABRA5PTGS2KMT2AATMPTGS1
SCHEMBL1776269 0.83 PTGS2 (0.50) GABRA5PTGS2KMT2AATMPTGS1
SCHEMBL21834100 0.83 GABRA5 (0.49) GABRA5PTGS2KMT2AATMPTGS1
SCHEMBL286512 0.83 GABRA5 (0.49) GABRA5PTGS2KMT2AATMPTGS1
SCHEMBL2928713 0.83 GABRA5 (0.52) GABRA5GPBAR1
SCHEMBL22230645 0.83 GABRA5 (0.49) GABRA5PTGS2KMT2APTGS1
SCHEMBL107436 0.83 PTGS1 (0.58) GABRA5PTGS2KMT2APTGS1
SCHEMBL2961416 0.83 GABRA5 (0.50) GABRA5KMT2ATHRB
SCHEMBL5772937 0.83 MAPT (0.54) GABRA5KMT2ATHRBGPBAR1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 95 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3675845-B1 NOVEL GAMMA AMINOBUTYRIC ACID TYPE A RECEPTOR MODULATORS FOR MOOD DISORDERS UNIV MARYLAND (US) 2024-07-17 EP claimed
US-20220396572-A1 Deuterated Alpha5 subunit-selective Negative Allosteric Modulators of Gamma-Aminobutyric Acid Type A Receptors as Fast Acting Treatment for Depression and Mood Disorders THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES 2022-12-15 US claimed
US-11459320-B2 Deuterated Alpha5 subunit-selective negative allosteric modulators of gamma-aminobutyric acid type A receptors as fast acting treatment for depression and mood disorders UNIVERSITY OF MARYLAND, BALTIMORE (US) 2022-10-04 US claimed
WO-2019046300-A9 NOVEL GAMMA AMINOBUTYRIC ACID TYPE A RECEPTOR MODULATORS FOR MOOD DISORDERS UNIVERSITY OF MARYLAND, BALTIMORE (US) 2020-10-15 WO claimed
EP-3675845-A1 NOVEL GAMMA AMINOBUTYRIC ACID TYPE A RECEPTOR MODULATORS FOR MOOD DISORDERS University of Maryland, Baltimore (US) 2020-07-08 EP claimed
US-20200199119-A1 Deuterated Alpha5 subunit-selective Negative Allosteric Modulators of Gamma-Aminobutyric Acid Type A Receptors as Fast Acting Treatment for Depression and Mood Disorders NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2020-06-25 US claimed
CN-111201016-A Novel gamma aminobutyric acid type A receptor modulators for mood disorders 马里兰大学巴尔的摩分校 2020-05-26 CN claimed
WO-2019046300-A1 NOVEL GAMMA AMINOBUTYRIC ACID TYPE A RECEPTOR MODULATORS FOR MOOD DISORDERS UNIVERSITY OF MARYLAND, BALTIMORE (US) 2019-03-07 WO claimed
EP-2768827-B1 PROCESS FOR THE PREPARATION OF ISOXAZOLYL-METHOXY-NICOTINIC ACIDS HOFFMANN LA ROCHE (CH) 2016-11-23 EP claimed
EP-2768827-A1 PROCESS FOR THE PREPARATION OF ISOXAZOLYL-METHOXY-NICOTINIC ACIDS F.HOFFMANN-LA ROCHE AG (CH) 2014-08-27 EP claimed
US-8604062-B2 Process for the preparation of isoxazolyl-methoxy nicotinic acids HOFFMAN-LA ROCHE INC. (US) 2013-12-10 US claimed
WO-2013057123-A1 PROCESS FOR THE PREPARATION OF ISOXAZOLYL-METHOXY-NICOTINIC ACIDS F. HOFFMANN-LA ROCHE AG (CH) 2013-04-25 WO claimed
US-20130102778-A1 PROCESS FOR THE PREPARATION OF ISOXAZOLYL- METHOXY NICOTINIC ACIDS HOFFMANN-LA ROCHE INC. (US) 2013-04-25 US claimed
EP-4126858-B1 DIHYDRO-2-PYRROLO[3,4-C]PYRIDINE DERIVATIVES AS GABAA A5 RECEPTOR MODULATORS RICHTER GEDEON NYRT (HU) 2026-03-18 EP disclosed
EP-3856342-B1 BICYCLIC DERIVATIVES AS GABAA A5 RECEPTOR MODULATORS RICHTER GEDEON NYRT (HU) 2025-12-10 EP disclosed
US-12370182-B2 Bicyclic derivatives as GABAA A5 receptor modulators RICHTER GEDEON NYRT. (HU) 2025-07-29 US disclosed
WO-2009071477-A1 ISOXAZOLO-PYRIDAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-06-11 WO disclosed
WO-2009071476-A1 ISOXAZOLO-PYRIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-06-11 WO disclosed
US-20090143371-A1 ISOXAZOLE-PYRIDINE DERIVATIVES ROCHE PALO ALTO LLC 2009-06-04 US disclosed
US-20090143385-A1 ISOXAZOLO-PYRIDAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-06-04 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090143371-A1 ISOXAZOLE-PYRIDINE DERIVATIVES GABRA5, GABRA1, CHRNA5 GABRA5 1/4885PTGS2 3620/4885KMT2A 3647/4885
US-20200199119-A1 Deuterated Alpha5 subunit-selective Negative Allosteric Modulators of Gamma-Aminobutyric Acid Type A Receptors as Fast Acting Treatment for Depression and Mood Disorders GABRA5, GABRA4, GABRA1 GABRA5 1/4885PTGS2 3790/4885KMT2A 1378/4885
US-12370182-B2 Bicyclic derivatives as GABAA A5 receptor modulators GABRA5, GABRA1, GABRB1 GABRA5 1/4885PTGS2 2889/4885KMT2A 4329/4885
US-20090143385-A1 ISOXAZOLO-PYRIDAZINE DERIVATIVES GABRA5, CHRNA5, GABRA1 GABRA5 1/4885PTGS2 1436/4885KMT2A 3099/4885
US-11459320-B2 Deuterated Alpha5 subunit-selective negative allosteric modulators of gamma-aminobutyric acid type A receptors as fast acting treatment for depression and mood disorders GABRA5, GABRA4, GABRA1 GABRA5 1/4885PTGS2 3790/4885KMT2A 1378/4885
US-20130102778-A1 PROCESS FOR THE PREPARATION OF ISOXAZOLYL- METHOXY NICOTINIC ACIDS NAPRT, CHRNA1, CHRM1 GABRA5 151/4885PTGS2 2191/4885KMT2A 2326/4885
US-20220396572-A1 Deuterated Alpha5 subunit-selective Negative Allosteric Modulators of Gamma-Aminobutyric Acid Type A Receptors as Fast Acting Treatment for Depression and Mood Disorders GABRA5, GABRA4, GABRA1 GABRA5 1/4885PTGS2 3790/4885KMT2A 1378/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.