SCHEMBL7187595

SCHEMBL7187595

Cc1nn(-c2ccc(C#N)cc2C(F)(F)F)c2c1CCC2

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 4/20 0.41
KDM4E B2RXH2 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
OPRM1 P35372 1/20 0.37
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
AR P10275 7/20 0.35
TRPV4 Q9HBA0 1/20 0.35
UGCG Q16739 1/20 0.35
ELANE P08246 1/20 0.34
HTR7 P34969 1/20 0.34

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
SCHEMBL5104170 0.83 CRHR1 (0.39) CRHR1CYP11B1CYP11B2ARTRPV4
SCHEMBL5100862 0.83 CRHR1 (0.37) CRHR1CYP11B1CYP11B2ARTRPV4
SCHEMBL5103863 0.78 TTR (0.43) KDM4ESMN1; SMN2OPRM1ARUGCG
SCHEMBL6936302 0.72 AR (0.42) CRHR1CYP11B1CYP11B2ARTRPV4
SCHEMBL5101089 0.69 CYP11B2 (0.43) CRHR1CYP11B1CYP11B2ARTRPV4
SCHEMBL22044256 0.69 CRHR1 (0.38) CRHR1KDM4EARTRPV4
SCHEMBL4240070 0.69 AR (0.74) CRHR1AR
SCHEMBL3532873 0.69 NOTUM (0.48) KDM4EARTRPV4
SCHEMBL250177 0.67 NOTUM (0.47) ARTRPV4
SCHEMBL409405 0.67 TRPV4 (0.53) ARTRPV4ELANE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1370540-A1 ANTI-THROMBOTIC CARBOXYLIC ACID AMIDES, THE PRODUCTION THEREOF AND USE OF THE SAME AS MEDICAMENTS Boehringer Ingelheim Pharma GmbH & Co.KG (DE) 2003-12-17 EP disclosed
US-20020183519-A1 Antithrombotic carboxylic acid amides BOEHRINGER INGELHEIM PHARMA KG (DE) 2002-12-05 US disclosed
WO-2002072558-A1 ANTI-THROMBOTIC CARBOXYLIC ACID AMIDES, THE PRODUCTION THEREOF AND USE OF THE SAME AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2002-09-19 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 (1 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-20020183519-A1 Antithrombotic carboxylic acid amides SERPINC1, TFPI, F2 CRHR1 4282/4885KDM4E 1448/4885SMN1; SMN2 1387/4885

“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.