SCHEMBL6936342

SCHEMBL6936342

CCOC(=O)c1nn(-c2ccc(NC(=O)Cc3cc(C#N)ccc3OCc3ccccc3)cc2C)c2c1CCC2

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.38
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38
GABRA5 P31644 1/20 0.38
GABRA3 P34903 1/20 0.38
GABRA2 P47869 1/20 0.38
P2RX4 Q99571 1/20 0.38
PTGER1 P34995 5/20 0.37
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
CSF1R P07333 1/20 0.36
MET P08581 1/20 0.36
PPIA P62937 1/20 0.36
MRGPRX4 Q96LA9 1/20 0.36
EGFR P00533 2/20 0.36
ERBB2 P04626 2/20 0.36
LMNA P02545 1/20 0.36

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
SCHEMBL7562749 0.88 PTGER1 (0.39) P2RX4PTGER1CSF1RMETPPIA
SCHEMBL6942080 0.81 RORC (0.40) P2RX4PTGER1METPPIAMRGPRX4
SCHEMBL7076172 0.77 MEN1 (0.45) P2RX4PTGER1PPIAMRGPRX4LMNA
SCHEMBL7561698 0.76 RORC (0.41) P2RX4PTGER1MAPTCSF1RPPIA
SCHEMBL7127088 0.76 MRGPRX4 (0.49) P2RX4MAPTMETPPIAMRGPRX4
SCHEMBL5099764 0.75 MET (0.46) P2RX4METPPIAMRGPRX4LMNA
SCHEMBL7561577 0.75 CYP19A1 (0.42) P2RX4PTGER1MAPTPPIAMRGPRX4
SCHEMBL7121876 0.74 ALDH1A1 (0.49) P2RX4MAPTLMNA
SCHEMBL7122686 0.74 P2RX4 (0.44) P2RX4PTGER1METPPIAMRGPRX4
SCHEMBL7568090 0.73 MAPT (0.39) GABRG2GABRB3GABRA5MAPTLMNA

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 GABRA1 484/4885GABRG2 1198/4885GABRB3 1020/4885

“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.