SCHEMBL2659281

SCHEMBL2659281

CC(C)(O)c1ccn2c(-c3ccc(F)c(-c4ccc(F)cc4C#N)c3)cnc2c1F

nearest known ligand 0.81

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 20/20 0.81
GABRG2 P18507 20/20 0.81
GABRB3 P28472 20/20 0.81
GABRA3 P34903 17/20 0.81
GABRA5 P31644 14/20 0.69
GABRA2 P47869 7/20 0.69

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
SCHEMBL2659859 0.93 GABRA1 (0.81) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL2657954 0.93 GABRA1 (0.70) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL30139355 0.93 GABRA1 (0.70) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL2658463 0.92 GABRA1 (0.68) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL2658839 0.90 GABRA1 (1.00) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL5775431 0.90 GABRA1 (0.67) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL2657810 0.88 GABRA1 (0.68) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL2659569 0.88 GABRA1 (0.66) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL2659472 0.88 GABRA1 (0.79) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL2659844 0.87 GABRA1 (0.75) GABRA1GABRG2GABRB3GABRA3GABRA5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230414636-A1 USE OF GABAA MODULATORS FOR TREATMENT OF RESPIRATORY CONDITIONS SAGE THERAPEUTICS, INC. 2023-12-28 US claimed
US-20220117916-A1 Combination Products to Mitigate the Risk of Non-Benzodiazepine Benzodiazepine Agonist Adverse Reaction and Overdose SAFERX PHARMACEUTICALS LLC (US) 2022-04-21 US claimed
EP-1511747-B1 IMIDAZO-PYRIDINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME (GB) 2006-04-12 EP claimed
US-20050165048-A1 Imidazo-pyridine derivatives as ligands for gaba receptors MERCK SHARP & DOHME LTD. (GB) 2005-07-28 US claimed
EP-1511747-A1 IMIDAZO-PYRIDINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LTD. (GB) 2005-03-09 EP claimed
WO-2003099816-A1 IMIDAZO-PYRIDINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LIMITED (GB) 2003-12-04 WO claimed
EP-4665755-A1 POLYPEPTIDES BINDING TO THE NEONATAL FC RECEPTOR Ablynx N.V. (BE) 2025-12-24 EP disclosed
US-12433898-B2 Use of GABAA receptor modulators for treatment of itch UNIVERSITAT ZURICH (CH) 2025-10-07 US disclosed
US-20250287407-A1 Orchestrating Migration of Edge Computing Resources NEDERLANDSE ORGANISATIE VOOR TOEGEPAST-NATUURWETENSCHAPPELIJK ONDERZOEK TNO (NL) 2025-09-11 US disclosed
US-12410212-B2 Cyclic compound having selective KRAS inhibitory effect on HRAS and NRAS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2025-09-09 US disclosed
US-20250268912-A1 USE OF GABAA RECEPTOR MODULATORS FOR TREATMENT OF ITCH UNIVERSITAT ZURICH (CH) 2025-08-28 US disclosed
EP-4603105-A1 PHARMACEUTICAL COMPOSITION CONTAINING CYCLIC COMPOUND HAVING SELECTIVE KRAS INHIBITORY EFFECT AGAINST HRAS AND NRAS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2025-08-20 EP disclosed
EP-4592308-A1 CYCLIC COMPOUND HAVING SELECTIVE KRAS INHIBITORY EFFECT ON HRAS AND NRAS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2025-07-30 EP disclosed
EP-3468545-A1 METHODS AND COMPOSITIONS FOR REDUCING TACTILE DYSFUNCTION AND ANXIETY ASSOCIATED WITH AUTISM SPECTRUM DISORDER, RETT SYNDROME, AND FRAGILE X SYNDROME President and Fellows of Harvard College (US) 2019-04-17 EP disclosed
EP-3407886-A1 USE OF GABAA RECEPTOR MODULATORS FOR TREATMENT OF ITCH Universität Zürich (CH) 2018-12-05 EP disclosed
WO-2017214442-A1 METHODS AND COMPOSITIONS FOR REDUCING TACTILE DYSFUNCTION AND ANXIETY ASSOCIATED WITH AUTISM SPECTRUM DISORDER, RETT SYNDROME, AND FRAGILE X SYNDROME PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2017-12-14 WO disclosed
WO-2017129801-A1 USE OF GABAA RECEPTOR MODULATORS FOR TREATMENT OF ITCH Universität Zürich (CH) 2017-08-03 WO disclosed
US-20150313913-A1 POSITIVE ALLOSTERIC MODULATORS OF THE GABA-A RECEPTOR IN THE TREATMENT OF AUTISM NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-11-05 US disclosed
US-20150313913-A1 POSITIVE ALLOSTERIC MODULATORS OF THE GABA-A RECEPTOR IN THE TREATMENT OF AUTISM NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-11-05 US disclosed
EP-1511747-B1 IMIDAZO-PYRIDINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME (GB) 2006-04-12 EP 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 (6 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-20230414636-A1 USE OF GABAA MODULATORS FOR TREATMENT OF RESPIRATORY CONDITIONS GABRB2, GABRB1, GABRA2 GABRA1 5/4885GABRG2 16/4885GABRB3 4/4885
US-12410212-B2 Cyclic compound having selective KRAS inhibitory effect on HRAS and NRAS KRAS, HRAS, NRAS GABRA1 2370/4885GABRG2 2243/4885GABRB3 2951/4885
US-20050165048-A1 Imidazo-pyridine derivatives as ligands for gaba receptors GABRA3, GABRA2, GABRA5 GABRA1 5/4885GABRG2 15/4885GABRB3 6/4885
US-20150313913-A1 POSITIVE ALLOSTERIC MODULATORS OF THE GABA-A RECEPTOR IN THE TREATMENT OF AUTISM GABRB2, GABRA4, GABRB1 GABRA1 5/4885GABRG2 12/4885GABRB3 8/4885
US-20250268912-A1 USE OF GABAA RECEPTOR MODULATORS FOR TREATMENT OF ITCH GABRB2, GABRB3, GABRB1 GABRA1 11/4885GABRG2 8/4885GABRB3 2/4885
US-12433898-B2 Use of GABAA receptor modulators for treatment of itch GABRB2, GABRB3, GABRB1 GABRA1 11/4885GABRG2 8/4885GABRB3 2/4885

“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.