SCHEMBL764457

SCHEMBL764457

COC(=O)c1ccc(Oc2ccc(CNC(=O)C3(NC(=O)c4cncnc4)CC3)cc2)c(C(F)(F)F)c1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 5/20 0.56
CYP3A4 P08684 1/20 0.38
ESRRA P11474 1/20 0.38
MAPK14 Q16539 1/20 0.37
F10 P00742 1/20 0.36
PTGER4 P35408 1/20 0.36
PTGER2 P43116 1/20 0.36
ROCK2 O75116 2/20 0.35
CNR1 P21554 1/20 0.35
MRGPRX4 Q96LA9 1/20 0.35
ABL1 P00519 1/20 0.35
KCNH2 Q12809 1/20 0.35
SCN9A Q15858 1/20 0.35
ROCK1 Q13464 1/20 0.35

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
SCHEMBL765146 0.92 BDKRB1 (0.50) BDKRB1CYP3A4MAPK14F10PTGER4
SCHEMBL764412 0.92 BDKRB1 (0.53) BDKRB1F10
SCHEMBL764431 0.92 BDKRB1 (0.49) BDKRB1CYP3A4MAPK14PTGER4PTGER2
SCHEMBL10121323 0.91 BDKRB1 (0.49) BDKRB1MAPK14F10PTGER4PTGER2
SCHEMBL764466 0.90 BDKRB1 (0.51) BDKRB1CYP3A4MAPK14PTGER4PTGER2
SCHEMBL10121503 0.90 BDKRB1 (0.51) BDKRB1F10ROCK2ROCK1
SCHEMBL13165659 0.89 BDKRB1 (0.48) BDKRB1
SCHEMBL13904296 0.88 BDKRB1 (0.49) BDKRB1CYP3A4MAPK14F10PTGER4
SCHEMBL13904097 0.88 BDKRB1 (0.49) BDKRB1CYP3A4MAPK14F10PTGER4
SCHEMBL2549218 0.88 BDKRB1 (0.49) BDKRB1MAPK14PTGER4PTGER2CNR1

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 BDKRB1 1/4885CYP3A4 1580/4885ESRRA 2703/4885

“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.