SCHEMBL7323185

SCHEMBL7323185

CCOc1ccc(C#N)c(F)c1

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 6/20 0.65
CYP11B2 P19099 6/20 0.65
GLA P06280 1/20 0.49
TRPV4 Q9HBA0 6/20 0.47
AR P10275 2/20 0.46
NQO1 P15559 1/20 0.45
MEN1 O00255 1/20 0.45
NPC1 O15118 1/20 0.45
ALDH1A1 P00352 1/20 0.45
MAPT P10636 1/20 0.45
TSHR P16473 1/20 0.45
RAB9A P51151 1/20 0.45
KMT2A Q03164 1/20 0.45
GAA P10253 1/20 0.42
MAOB P27338 1/20 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
SCHEMBL19801798 0.87 CYP11B1 (0.71) CYP11B1CYP11B2AR
SCHEMBL13481174 0.86 CYP11B1 (0.51) CYP11B1CYP11B2TRPV4KMT2AMAOB
SCHEMBL9244079 0.86 CYP11B1 (0.51) CYP11B1CYP11B2TRPV4ARMEN1
SCHEMBL14999401 0.86 CYP11B1 (0.54) CYP11B1CYP11B2GLAARNQO1
SCHEMBL19128162 0.84 TRPV4 (0.48) CYP11B1CYP11B2TRPV4MAOB
SCHEMBL14373911 0.83 CYP11B1 (0.49) CYP11B1CYP11B2TRPV4ARALDH1A1
SCHEMBL11843714 0.83 MAOB (0.59) CYP11B1CYP11B2GLAARNQO1
SCHEMBL6957515 0.83 CYP11B1 (0.48) CYP11B1CYP11B2TRPV4MAOB
SCHEMBL6157456 0.82 ALDH1A1 (0.50) CYP11B1CYP11B2ALDH1A1TSHR
SCHEMBL14382331 0.82 ALDH1A1 (0.50) CYP11B1CYP11B2ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250221979-A1 NOVEL HETEROCYCLIC COMPOUND SHOUYAO HOLDINGS BEIJING CO LTD (CN) 2025-07-10 US disclosed
EP-4501912-A1 NOVEL HETEROCYCLIC COMPOUND Shouyao Holdings (Beijing) Co., Ltd. (CN) 2025-02-05 EP disclosed
CN-118475560-A Novel heterocyclic compound 首药控股(北京)股份有限公司 2024-08-09 CN disclosed
WO-2023185811-A1 NOVEL HETEROCYCLIC COMPOUND 首药控股(北京)股份有限公司 2023-10-05 WO disclosed
EP-3402790-A1 SPIROHEPTANE SALICYLAMIDES AND RELATED COMPOUNDS AS INHIBITORS OF ROCK Bristol-Myers Squibb Company (US) 2018-11-21 EP disclosed
WO-2017123860-A1 SPIROHEPTANE SALICYLAMIDES AND RELATED COMPOUNDS AS INHIBITORS OF ROCK BRISTOL-MYERS SQUIBB COMPANY (US) 2017-07-20 WO disclosed
EP-2489663-A1 Compounds as syk kinase inhibitors Almirall, S.A. (ES) 2012-08-22 EP disclosed
US-20100331348-A1 TROPANE DERIVATIVES USEFUL AS PESTICIDES SYNGENTA CROP PROTECTION, INC. (US) 2010-12-30 US disclosed
US-5958929-A CONGESTIVE HEART FAILURE; HYPOTENSIVE AGENTS SANOFI (FR) 1999-09-28 US disclosed
EP-0813534-A4 6-ARYL PYRAZOLO 3,4-d]PYRIMIDIN-4-ONES AND COMPOSITIONS AND METHODS OF USE THEREOF SANOFI WINTHROP INC (US) 1998-06-10 EP disclosed
US-5736548-A CYCLIC GUANOSINE 3*,5*-MONOPHOSPHATE PHOSPHODIESTERASE INHIBITORS; TREATING HEART FAILURE, HYPERTENSION SANOFI (FR) 1998-04-07 US disclosed
EP-0813534-A1 6-ARYL PYRAZOLO 3,4-d]PYRIMIDIN-4-ONES AND COMPOSITIONS AND METHODS OF USE THEREOF SANOFI PHARMACEUTICALS, INC. (US) 1997-12-29 EP disclosed
WO-1996028448-A1 6-ARYL PYRAZOLO[3,4-d]PYRIMIDIN-4-ONES AND COMPOSITIONS AND METHODS OF USE THEREOF SANOFI WINTHROP, INC. (US) 1996-09-19 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 (2 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-20250221979-A1 NOVEL HETEROCYCLIC COMPOUND MAPT, MNAT1, MAT2A CYP11B1 48/4885CYP11B2 9/4885GLA 3023/4885
US-20100331348-A1 TROPANE DERIVATIVES USEFUL AS PESTICIDES DDT, ACHE, TPM3 CYP11B1 163/4885CYP11B2 154/4885GLA 1093/4885

“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.