SCHEMBL764471

SCHEMBL764471

Cc1cc(Cl)ccc1Oc1ccc(CNC(=O)C2(NC(=O)c3cncnc3)CC2)c(F)c1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 11/20 0.43
P2RX7 Q99572 3/20 0.39
SLC6A4 P31645 2/20 0.38
HTR2A P28223 1/20 0.38
KCNH2 Q12809 1/20 0.38
CNR1 P21554 2/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A3 Q01959 1/20 0.38
LPAR1 Q92633 1/20 0.38
ROCK2 O75116 1/20 0.37
ROCK1 Q13464 1/20 0.37
DDR2 Q16832 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
SCHEMBL12239079 0.92 BDKRB1 (0.44) BDKRB1CNR1
SCHEMBL765842 0.88 BDKRB1 (0.53) BDKRB1SLC6A4CNR1SLC6A2SLC6A3
SCHEMBL765657 0.86 BDKRB1 (0.44) BDKRB1SLC6A4HTR2AKCNH2CNR1
SCHEMBL10121481 0.86 SLC6A4 (0.39) SLC6A4HTR2AKCNH2SLC6A2SLC6A3
SCHEMBL2546946 0.86 BDKRB1 (0.47) BDKRB1CNR1
SCHEMBL765633 0.84 BDKRB1 (0.49) BDKRB1CNR1
SCHEMBL765524 0.83 BDKRB1 (0.51) BDKRB1CNR1
SCHEMBL10121264 0.81 BDKRB1 (0.49) BDKRB1CNR1
SCHEMBL10121385 0.81 BDKRB1 (0.53) BDKRB1CNR1
SCHEMBL12239073 0.81 BDKRB1 (0.47) BDKRB1CNR1

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 6 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
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
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 1/4885P2RX7 199/4885SLC6A4 2203/4885

“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.