SCHEMBL5100862

SCHEMBL5100862

COC(OC)c1nn(-c2ccc(C#N)cc2C(F)(F)F)c2c1CCC2

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 4/20 0.37
UGCG Q16739 1/20 0.34
AR P10275 4/20 0.32
CYP11B1 P15538 2/20 0.32
CYP11B2 P19099 2/20 0.32
TRPV4 Q9HBA0 1/20 0.32
ELANE P08246 1/20 0.32
AOC3 Q16853 1/20 0.31
SCARB1 Q8WTV0 2/20 0.30
HSD11B1 P28845 1/20 0.30

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
SCHEMBL7187595 0.83 CRHR1 (0.41) CRHR1UGCGARCYP11B1CYP11B2
SCHEMBL5104170 0.78 CRHR1 (0.39) CRHR1UGCGARCYP11B1CYP11B2
SCHEMBL6936302 0.68 AR (0.42) CRHR1ARCYP11B1CYP11B2TRPV4
SCHEMBL5101089 0.65 CYP11B2 (0.43) CRHR1ARCYP11B1CYP11B2TRPV4
SCHEMBL22044256 0.65 CRHR1 (0.38) CRHR1ARTRPV4SCARB1
SCHEMBL3532873 0.64 NOTUM (0.48) ARTRPV4AOC3HSD11B1
SCHEMBL250177 0.63 NOTUM (0.47) ARTRPV4AOC3HSD11B1
SCHEMBL5103863 0.62 TTR (0.43) UGCGAR
SCHEMBL6450031 0.62 TRPV4 (0.49) CRHR1ARTRPV4ELANEHSD11B1
SCHEMBL250297 0.61 CCNA2 (0.56) TRPV4AOC3HSD11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080132496-A1 CARBOXYLIC ACID AMIDES, THE PREPARATION THEREOF, AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2008-06-05 US disclosed
US-7326791-B2 Carboxylic acid amides, the preparation thereof, and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO., KG (DE) 2008-02-05 US disclosed
EP-1575925-A1 NOVEL CARBOXAMIDES, THE PRODUCTION AND USE THEREOF AS MEDICAMENTS Boehringer Ingelheim International GmbH (DE) 2005-09-21 EP disclosed
WO-2004056784-A1 NOVEL CARBOXAMIDES, THE PRODUCTION AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-07-08 WO disclosed
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 (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-20080132496-A1 CARBOXYLIC ACID AMIDES, THE PREPARATION THEREOF, AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS F12, F11, F2 CRHR1 2471/4885UGCG 3346/4885AR 2674/4885
US-20020183519-A1 Antithrombotic carboxylic acid amides SERPINC1, TFPI, F2 CRHR1 4282/4885UGCG 3891/4885AR 3011/4885

“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.