SCHEMBL1017145

SCHEMBL1017145

COc1ccc(F)c(C#N)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 2/20 0.47
CYP11B2 P19099 2/20 0.47
AR P10275 3/20 0.46
PGR P06401 2/20 0.46
GLA P06280 2/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
GAA P10253 2/20 0.44
POLB P06746 1/20 0.44
L3MBTL1 Q9Y468 3/20 0.44
PPARG P37231 1/20 0.44
NCOA2 Q15596 1/20 0.44
NCOA1 Q15788 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
NCOA3 Q9Y6Q9 1/20 0.44
NQO1 P15559 1/20 0.43
PLA2G7 Q13093 2/20 0.43
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42

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
SCHEMBL30079514 1.00 CYP11B1 (0.47) CYP11B1CYP11B2ARPGRGLA
SCHEMBL15832052 0.88 SLC22A12 (0.52) ARGAAPOLBNPC1RAB9A
SCHEMBL2539990 0.84 CYP11B1 (0.58) CYP11B1CYP11B2ARPGRGLA
SCHEMBL188284 0.82 MAOB (0.55) POLBPLA2G7NPC1RAB9AMAOB
SCHEMBL111126 0.81 PGR (0.63) CYP11B1CYP11B2ARPGRGLA
SCHEMBL28704253 0.81 MAOB (0.48) CYP11B1CYP11B2ARPGRMEN1
SCHEMBL7535762 0.81 MAOB (0.51) CYP11B1CYP11B2ARPGRMEN1
SCHEMBL1154814 0.81 MAOB (0.58) NPC1RAB9AMAOB
SCHEMBL9560109 0.81 MAOB (0.57) ARPGRGLAMEN1KMT2A
SCHEMBL6212996 0.80 CPS1 (0.40) MEN1KMT2AGAAPOLBNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109952289-B TRPV4 antagonists 葛兰素史密斯克莱知识产权(第2 号)有限公司 2022-12-09 CN claimed
CN-109952289-A TRPV4 antagonist 葛兰素史密斯克莱知识产权(第2 号)有限公司 2019-06-28 CN claimed
US-20260062393-A1 Compounds CTXT PTY LTD (AU) 2026-03-05 US disclosed
US-12365655-B2 Compounds CTXT PTY LTD (AU) 2025-07-22 US disclosed
CN-112334466-B Compounds of formula (I) CTXT私人有限公司 2025-05-30 CN disclosed
US-12286428-B2 Tricyclic heteroaryl compounds useful as IRAK4 inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2025-04-29 US disclosed
WO-2024199444-A1 HETEROAROMATIC RING COMPOUND, PREPARATION METHOD THEREFOR, AND USE THEREOF 上海翊维康医药有限责任公司 2024-10-03 WO disclosed
WO-2024175925-A1 MC2R MODULATOR COMPOUNDS Omass Therapeutics Limited (GB) 2024-08-29 WO disclosed
CN-114423757-B Tricyclic heteroaryl compounds useful as IRAK4 inhibitors 百时美施贵宝公司 2024-07-02 CN disclosed
EP-4335439-A2 COMPOUNDS CTXT PTY LTD (AU) 2024-03-13 EP disclosed
EP-4326257-A1 AZETIDINYL-ACETAMIDES AS CXCR7 INHIBITORS ChemoCentryx, Inc. (US) 2024-02-28 EP disclosed
US-20070082890-A1 Substituted imidazo-[1,5-a][1,2,4]triazolo[1,5-d][1,4] benzodiazepine derivatives BANK OF AMERICA, N.A., AS ADMINISTRATIVE AGENT 2007-04-12 US disclosed
US-20060189625-A1 Cyclic aminophenyl sulfamate derivative ASKA PHARMACEUTICAL CO., LTD. (JP) 2006-08-24 US disclosed
WO-2006063708-A1 TETRACYCLIC IMIDAZO-BENZODIAZEPINES AS GABA RECEPTORS MODULATORS F.HOFFMANN-LA ROCHE AG (CH) 2006-06-22 WO disclosed
US-20060128691-A1 Substituted imidazo[1,5-A][1,2,4]triazolo[1,5-D][1,4]benzodiazepine derivatives HOFFMANN-LA ROCHE INC. 2006-06-15 US disclosed
EP-1627871-A1 CYCLIC AMINOPHENYL SULFAMATE DERIVATIVE Teikoku Hormone Mfg. Co., Ltd. (JP) 2006-02-22 EP disclosed
US-6380218-B1 FOR THERAPY OF RESPIRATORY, ALLERGIC, AND INFLAMMATORY DISORDERS COMPRISING ASTHMA, CHRONIC OBSTRUCTIVE PULMONARY DISEASE, ACUTE RESPIRATORY DISEASE SYNDROME, PULMONARY HYPERSENSITIVITY, AND ALLERGIC RHINITIS IN A MAMMAL PFIZER INC 2002-04-30 US disclosed
EP-0971894-A1 NICOTINAMIDE DERIVATIVES Pfizer Products Inc. (US) 2000-01-19 EP disclosed
WO-1998045268-A1 NICOTINAMIDE DERIVATIVES PFIZER PRODUCTS INC. (US) 1998-10-15 WO disclosed
WO-1994025461-A1 CERTAIN CYCLOALKYL AND AZACYCLOALKYL PYRROLOPYRIDINES; A NEW CLASS OF GABA BRAIN RECEPTOR LIGANDS NEUROGEN CORPORATION (US) 1994-11-10 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 (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-20060128691-A1 Substituted imidazo[1,5-A][1,2,4]triazolo[1,5-D][1,4]benzodiazepine derivatives GABRA3, GABRA5, GABRA1 CYP11B1 253/4885CYP11B2 374/4885AR 240/4885
US-20260062393-A1 Compounds SCN2B, ABCB11, SCN1B CYP11B1 796/4885CYP11B2 629/4885AR 336/4885
US-20060189625-A1 Cyclic aminophenyl sulfamate derivative SHBG, STS, ARSA CYP11B1 63/4885CYP11B2 92/4885AR 16/4885
US-20070082890-A1 Substituted imidazo-[1,5-a][1,2,4]triazolo[1,5-d][1,4] benzodiazepine derivatives GABRA5, GABRA1, GABRA4 CYP11B1 303/4885CYP11B2 479/4885AR 356/4885
US-12365655-B2 Compounds SLC10A1, ABCB11, PCSK9 CYP11B1 12/4885CYP11B2 6/4885AR 1495/4885
US-12286428-B2 Tricyclic heteroaryl compounds useful as IRAK4 inhibitors IRAK4, IRAK1, IRAK3 CYP11B1 1428/4885CYP11B2 2077/4885AR 2070/4885

“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.