SCHEMBL6936302

SCHEMBL6936302

Cn1nc(-c2ccc(C#N)cc2C(F)(F)F)c2c1CCC2

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AR P10275 5/20 0.42
NSD2 O96028 1/20 0.40
CYP11B2 P19099 6/20 0.40
CYP11B1 P15538 5/20 0.40
TRPV4 Q9HBA0 1/20 0.35
RORC P51449 2/20 0.35
SCARB1 Q8WTV0 2/20 0.35
CREBBP Q92793 1/20 0.34
CRHR1 P34998 2/20 0.33

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 0.72 CRHR1 (0.41) ARCYP11B2CYP11B1TRPV4CRHR1
SCHEMBL7604551 0.70 TRPV4 (0.56) ARNSD2TRPV4
SCHEMBL5100862 0.68 CRHR1 (0.37) ARCYP11B2CYP11B1TRPV4SCARB1
SCHEMBL5104170 0.68 CRHR1 (0.39) ARCYP11B2CYP11B1TRPV4CRHR1
SCHEMBL6940971 0.67 ALDH1A1 (0.39) CREBBP
SCHEMBL28668535 0.65 KIF11 (0.57) ARNSD2CYP11B2TRPV4
SCHEMBL250179 0.64 AR (0.46) ARNSD2CYP11B2CYP11B1TRPV4
SCHEMBL409405 0.64 TRPV4 (0.53) ARTRPV4
SCHEMBL3532873 0.63 NOTUM (0.48) ARTRPV4
SCHEMBL15730331 0.63 LMNA (0.51)

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 AR 3011/4885NSD2 2110/4885CYP11B2 2344/4885

“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.