SCHEMBL765805

SCHEMBL765805

N#Cc1cc(Cl)ccc1Oc1ccc(CNC(=O)C2(NC(=O)c3cncnc3)CC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 2/20 0.49
MAPK14 Q16539 5/20 0.44
CYP3A4 P08684 2/20 0.44
PTGER4 P35408 1/20 0.41
PTGDR2 Q9Y5Y4 4/20 0.40
AKR1B1 P15121 2/20 0.37
CTSL P07711 1/20 0.37
CTSK P43235 1/20 0.37
SLC22A12 Q96S37 1/20 0.37
PLA2G7 Q13093 1/20 0.36
FNTA P49354 1/20 0.36
FNTB P49356 1/20 0.36
PGGT1B P53609 1/20 0.36
CNR1 P21554 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
SCHEMBL764480 0.90 BDKRB1 (0.53) BDKRB1MAPK14CYP3A4SLC22A12
SCHEMBL765846 0.90 BDKRB1 (0.49) BDKRB1MAPK14CYP3A4PTGDR2CTSL
SCHEMBL765656 0.90 BDKRB1 (0.49) BDKRB1MAPK14CYP3A4PTGER4PTGDR2
SCHEMBL764428 0.90 BDKRB1 (0.51) BDKRB1MAPK14CYP3A4CTSLSLC22A12
SCHEMBL764449 0.90 BDKRB1 (0.49) BDKRB1MAPK14CYP3A4PTGER4PTGDR2
SCHEMBL765617 0.88 BDKRB1 (0.52) BDKRB1MAPK14CYP3A4PTGER4CNR1
SCHEMBL765845 0.88 MAPK14 (0.58) BDKRB1MAPK14CYP3A4CTSLCTSK
SCHEMBL765145 0.87 BDKRB1 (0.48) BDKRB1MAPK14CYP3A4PTGDR2PLA2G7
SCHEMBL12238924 0.87 BDKRB1 (0.51) BDKRB1MAPK14CYP3A4PTGER4AKR1B1
SCHEMBL765524 0.87 BDKRB1 (0.51) BDKRB1MAPK14CYP3A4PTGER4CNR1

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 1/4885MAPK14 1751/4885CYP3A4 1580/4885

“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.