SCHEMBL410587

SCHEMBL410587

Cc1ccc(C#N)c(Cl)c1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 1/20 0.57
AR P10275 7/20 0.49
ALDH1A1 P00352 2/20 0.47
KDM4E B2RXH2 1/20 0.47
GAA P10253 1/20 0.47
HPGD P15428 1/20 0.47
GABRA1 P14867 2/20 0.46
GABRG2 P18507 2/20 0.46
GABRB3 P28472 2/20 0.46
GABRB2 P47870 1/20 0.46
CYP11B2 P19099 2/20 0.43
SLC22A12 Q96S37 1/20 0.43
IDO1 P14902 1/20 0.42
CYP2A6 P11509 1/20 0.41
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40

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
SCHEMBL366053 0.82 VCAM1 (0.48) TRPV4ARALDH1A1KDM4EGAA
SCHEMBL11560121 0.82 CYP11B2 (0.49) TRPV4ARCYP11B2SLC22A12MAOA
SCHEMBL1003862 0.78 ALDH1A1 (0.46) ARALDH1A1KDM4ECYP2A6MAOA
SCHEMBL17052853 0.78 AR (0.65) ARSLC22A12
SCHEMBL25051645 0.77 GABRA1 (0.38) TRPV4ARALDH1A1KDM4EGAA
SCHEMBL3785534 0.77 ACACB (0.39) TRPV4ALDH1A1KDM4EGAAHPGD
SCHEMBL267151 0.77 TRPV4 (0.57) TRPV4ARCYP11B2SLC22A12IDO1
SCHEMBL4163780 0.77 AR (0.72) ARSLC22A12
SCHEMBL4168834 0.77 AR (0.72) ARSLC22A12
SCHEMBL277588 0.76 TSHR (0.52) ARALDH1A1HPGDCYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6495540-B2 HEXAHYDROAZEPINE-2-ONE DERIVATIVE AS BETA-AMYLOID INHIBITOR BRISTOL - MYERS SQUIBB PHARMA COMPANY 2002-12-17 US claimed
US-20020010172-A1 Lactams as inhibitors of A-beta protein production BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-01-24 US claimed
US-12479827-B2 Heteroaromatic carboxamide derivatives as plasma kallikrein inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2025-11-25 US disclosed
US-20250221979-A1 NOVEL HETEROCYCLIC COMPOUND SHOUYAO HOLDINGS BEIJING CO LTD (CN) 2025-07-10 US disclosed
US-20250100981-A1 Cis-substituted 5-(hydroxymethyl)morpholine-2-carboxamides as agonists of SSTR4 BOEHRINGER INGELHEIM INT (DE) 2025-03-27 US disclosed
WO-2025027049-A1 (2S,5R)-5-(HYDROXYMETHYL)MORPHOLINE-2-CARBOXAMIDES AS AGONISTS OF SSTR4 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2025-02-06 WO disclosed
EP-4501912-A1 NOVEL HETEROCYCLIC COMPOUND Shouyao Holdings (Beijing) Co., Ltd. (CN) 2025-02-05 EP disclosed
CN-116120287-B Heteroaromatic carboxamide derivatives as inhibitors of plasma kallikrein 勃林格殷格翰国际有限公司 2025-01-28 CN disclosed
US-12180221-B2 Compounds and uses thereof JANSSEN PHARMACEUTICA NV (BE) 2024-12-31 US disclosed
CN-118715221-A Tricyclic compounds and uses thereof 希格生科(深圳)有限公司 2024-09-27 CN 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-2001072324-A1 LACTAMS AS INHIBITORS OF A-BETA PROTEIN PRODUCTION BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2001-10-04 WO disclosed
WO-2001046205-A1 PHOSPHONIC ACID DERIVATIVES AS INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE 1B (PTP-1B) MERCK FROSST CANADA & CO. (CA) 2001-06-28 WO disclosed
US-6030972-A 2- OR 5-AMINOMETHYL,2- OR 5-CYANOPYRIMIDINES AS INTERMEDIATES OF ANTICOAGULANTS IN EXTRACORPOREAL CIRCULATION (HEART-LUNG MACHINE, HEMODIALYSIS) BASF AKTIENGESELLSCHAFT (DE) 2000-02-29 US disclosed
EP-0873356-A1 NOVEL DIPEPTIDE AMIDINES AS THROMBIN INHIBITORS BASF AKTIENGESELLSCHAFT (DE) 1998-10-28 EP disclosed
WO-1996025426-A9 NOVEL DIPEPTIDE AMIDINES AS THROMBIN INHIBITORS 1997-06-12 WO disclosed
WO-1996025426-A1 NOVEL DIPEPTIDE AMIDINES AS THROMBIN INHIBITORS BASF AKTIENGESELLSCHAFT (DE) 1996-08-22 WO disclosed
EP-0286889-B1 PROCESS FOR THE PREPARATION OF ORTHO-SUBSTITUTED ARYLCARBOXIMIDO ESTERS HOECHST AKTIENGESELLSCHAFT (DE) 1991-08-21 EP disclosed
US-4843167-A Process for the preparation of ortho-substituted arylcarboximidoesters HOECHST AKTIENGESELLSCHAFT (DE) 1989-06-27 US disclosed
EP-0286889-A1 Process for the preparation of ortho-substituted arylcarboximido esters HOECHST AKTIENGESELLSCHAFT (DE) 1988-10-19 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 (5 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-12479827-B2 Heteroaromatic carboxamide derivatives as plasma kallikrein inhibitors KLKB1, KLK5, KLK1 TRPV4 3413/4885AR 133/4885ALDH1A1 1223/4885
US-20250221979-A1 NOVEL HETEROCYCLIC COMPOUND MAPT, MNAT1, MAT2A TRPV4 2728/4885AR 1962/4885ALDH1A1 996/4885
US-12180221-B2 Compounds and uses thereof NLN, ACHE, CLN6 TRPV4 464/4885AR 4802/4885ALDH1A1 656/4885
US-20250100981-A1 Cis-substituted 5-(hydroxymethyl)morpholine-2-carboxamides as agonists of SSTR4 SSTR4, SSTR5, SSTR2 TRPV4 250/4885AR 428/4885ALDH1A1 4226/4885
US-20020010172-A1 Lactams as inhibitors of A-beta protein production BACE1, APP, APH1A TRPV4 4881/4885AR 4369/4885ALDH1A1 3399/4885

“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.