SCHEMBL765838

SCHEMBL765838

COc1ccc(Oc2ccc(CNC(=O)C3(NC(=O)c4cc(O)ccn4)CC3)cc2)c(C(F)(F)F)c1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.40
DDR2 Q16832 2/20 0.40
BDKRB1 P46663 1/20 0.39
RAB9A P51151 1/20 0.38
EPHX2 P34913 4/20 0.38
RAF1 P04049 3/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
POLB P06746 2/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
HPGD P15428 1/20 0.36
CYP2C19 P33261 1/20 0.36
ATM Q13315 1/20 0.36
PTPN7 P35236 2/20 0.36
DUSP3 P51452 2/20 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
SCHEMBL765545 0.94 DDR2 (0.44) P2RX7DDR2BDKRB1RAB9AEPHX2
SCHEMBL12238933 0.89 P2RX7 (0.44) P2RX7BDKRB1RAB9AEPHX2POLB
SCHEMBL765174 0.89 DDR2 (0.38) DDR2BDKRB1EPHX2RAF1
SCHEMBL765544 0.87 BDKRB1 (0.42) P2RX7BDKRB1EPHX2
SCHEMBL10121197 0.87 DDR2 (0.41) P2RX7DDR2BDKRB1RAB9AEPHX2
SCHEMBL765198 0.85 BDKRB1 (0.42) P2RX7BDKRB1EPHX2L3MBTL1POLB
SCHEMBL756525 0.85 BDKRB1 (0.42) P2RX7BDKRB1EPHX2L3MBTL1PTPN7
SCHEMBL10121524 0.85 BDKRB1 (0.44) P2RX7BDKRB1EPHX2
SCHEMBL757814 0.85 BDKRB1 (0.42) P2RX7BDKRB1EPHX2POLB
SCHEMBL764436 0.85 BDKRB1 (0.41) P2RX7BDKRB1EPHX2L3MBTL1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8916589-B2 Bradykinin B1-antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-12-23 US disclosed
EP-2188254-B1 NOVEL BRADYKININ B1-ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2012-03-21 EP disclosed
US-20110263626-A1 NOVEL BRADYKININ B1-ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-10-27 US disclosed
WO-2009027450-A1 NOVEL BRADYKININ B1-ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-03-05 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-20110263626-A1 NOVEL BRADYKININ B1-ANTAGONISTS BDKRB1, BDKRB2, EDNRB P2RX7 199/4885DDR2 1656/4885BDKRB1 1/4885

“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.