SCHEMBL21623964

SCHEMBL21623964

Cc1nnn(-c2ccc(C(F)F)cc2)c1COc1ccc(Cl)nn1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 13/20 0.43
GABRG2 P18507 10/20 0.43
GABRB3 P28472 10/20 0.43
KCNH2 Q12809 5/20 0.43
RXRA P19793 2/20 0.36
GRIN1 Q05586 2/20 0.36
GRIN2B Q13224 2/20 0.36

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
SCHEMBL30282856 1.00 GABRA5 (0.43) GABRA5GABRG2GABRB3KCNH2RXRA
SCHEMBL30283165 0.88 RXRA (0.33) GABRA5GABRG2GABRB3KCNH2RXRA
SCHEMBL25045392 0.88 RXRA (0.33) GABRA5GABRG2GABRB3KCNH2RXRA
SCHEMBL25045285 0.87 RXRA (0.33) GABRA5GABRG2GABRB3KCNH2RXRA
SCHEMBL2688352 0.87 GABRA5 (0.54) GABRA5GABRG2GABRB3KCNH2
SCHEMBL30282901 0.87 GABRA5 (0.54) GABRA5GABRG2GABRB3KCNH2
SCHEMBL25045396 0.87 GABRA5 (0.44) GABRA5GABRG2GABRB3KCNH2
SCHEMBL25044752 0.87 GABRA5 (0.44) GABRA5GABRG2GABRB3KCNH2RXRA
SCHEMBL24240237 0.87 GRIN1 (0.35) GABRA5GABRG2GABRB3KCNH2RXRA
SCHEMBL25043830 0.87 GABRA5 (0.41) GABRA5GABRG2GABRB3KCNH2RXRA

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250136581-A1 SUBSTITUTED TRIAZOLE DERIVATIVE, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF SHANGHAI SIMRD BIOTECHNOLOGY CO., LTD. (CN) 2025-05-01 US disclosed
WO-2024251133-A1 HETEROCYCLIC COMPOUND AS α5-GABAA RECEPTOR MODULATOR AND USE THEREOF 武汉人福创新药物研发中心有限公司 2024-12-12 WO disclosed
EP-4385988-A1 SUBSTITUTED TRIAZOLE DERIVATIVE, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF Shanghai Simr Biotechnology Co., Ltd. (CN) 2024-06-19 EP disclosed
CN-115703765-A Substituted triazole derivative, preparation method, pharmaceutical composition and application thereof 上海赛默罗生物科技有限公司 2023-02-17 CN disclosed
WO-2023016521-A1 SUBSTITUTED TRIAZOLE DERIVATIVE, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF 上海赛默罗生物科技有限公司 2023-02-16 WO disclosed
WO-2023016521-A1 SUBSTITUTED TRIAZOLE DERIVATIVE, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF 上海赛默罗生物科技有限公司 2023-02-16 WO disclosed
EP-3823967-B1 DIFLUOROMETHYL-PHENYL TRIAZOLES AS GABA RECEPTOR MODULATORS BOEHRINGER INGELHEIM INT (DE) 2022-08-31 EP disclosed
EP-3823967-A1 DIFLUOROMETHYL-PHENYL TRIAZOLES AS GABA RECEPTOR MODULATORS Boehringer Ingelheim International GmbH (DE) 2021-05-26 EP disclosed
US-20210147393-A1 DIFLUOROMETHYL-PHENYL TRIAZOLES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2021-05-20 US disclosed
US-20210147393-A1 DIFLUOROMETHYL-PHENYL TRIAZOLES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2021-05-20 US disclosed
US-10941137-B2 Difluoromethyl-phenyl triazoles BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2021-03-09 US disclosed
US-10941137-B2 Difluoromethyl-phenyl triazoles BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2021-03-09 US disclosed
CN-112424197-A Difluoromethyl-phenyl triazoles as GABA receptor modulators 勃林格殷格翰国际公司 2021-02-26 CN disclosed
WO-2020016443-A1 DIFLUOROMETHYL-PHENYL TRIAZOLES AS GABA RECEPTOR MODULATORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2020-01-23 WO disclosed
WO-2020016443-A1 DIFLUOROMETHYL-PHENYL TRIAZOLES AS GABA RECEPTOR MODULATORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2020-01-23 WO 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 (3 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-10941137-B2 Difluoromethyl-phenyl triazoles GABRA5, GABRB1, GABRA1 GABRA5 1/4885GABRG2 15/4885GABRB3 5/4885
US-20210147393-A1 DIFLUOROMETHYL-PHENYL TRIAZOLES GABRA5, GABRB1, GABRA1 GABRA5 1/4885GABRG2 15/4885GABRB3 5/4885
US-20250136581-A1 SUBSTITUTED TRIAZOLE DERIVATIVE, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF GABRA5, SLC6A11, GABRA1 GABRA5 1/4885GABRG2 26/4885GABRB3 13/4885

“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.