SCHEMBL764461

SCHEMBL764461

Cc1ccccc1Oc1ccc(CNC(=O)C2(NC(=O)c3cncnc3)CC2)cc1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 4/20 0.61
MAPK14 Q16539 7/20 0.56
EZH2 Q15910 1/20 0.40
LPAR1 Q92633 3/20 0.40
LPAR5 Q9H1C0 3/20 0.40
CYP3A4 P08684 3/20 0.40
CNR1 P21554 1/20 0.39
HTT P42858 2/20 0.39
MMP13 P45452 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
LMNA P02545 1/20 0.39
EGLN1 Q9GZT9 1/20 0.38
MMP2 P08253 1/20 0.38
STAT3 P40763 1/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL765624 0.92 MAPK14 (0.53) BDKRB1MAPK14EZH2LPAR1LPAR5
SCHEMBL764458 0.90 BDKRB1 (0.64) BDKRB1MAPK14EZH2CYP3A4LMNA
SCHEMBL10121331 0.89 BDKRB1 (0.60) BDKRB1MAPK14CYP3A4CNR1HTT
SCHEMBL10121385 0.89 BDKRB1 (0.53) BDKRB1MAPK14CYP3A4CNR1
SCHEMBL12239078 0.89 BDKRB1 (0.54) BDKRB1MAPK14CYP3A4HTTMMP13
SCHEMBL765553 0.88 BDKRB1 (0.58) BDKRB1MAPK14CYP3A4CNR1HTT
SCHEMBL765172 0.88 BDKRB1 (0.58) BDKRB1MAPK14CYP3A4CNR1HTT
SCHEMBL765538 0.88 BDKRB1 (0.58) BDKRB1MAPK14EZH2LPAR1LPAR5
SCHEMBL764429 0.88 BDKRB1 (0.58) BDKRB1MAPK14LPAR1LPAR5CYP3A4
SCHEMBL764413 0.88 BDKRB1 (0.64) BDKRB1MAPK14CYP3A4CNR1HTT

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 1/4885MAPK14 1751/4885EZH2 4702/4885

“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.