SCHEMBL764480

SCHEMBL764480

COc1ccc(Oc2ccc(CNC(=O)C3(NC(=O)c4cncnc4)CC3)cc2)c(C#N)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 3/20 0.53
MAPK14 Q16539 4/20 0.44
CYP3A4 P08684 1/20 0.44
HPGDS O60760 1/20 0.40
VNN1 O95497 1/20 0.39
PDGFRB P09619 1/20 0.39
FLT4 P35916 1/20 0.39
F10 P00742 1/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
MAPK8 P45983 2/20 0.38
MAPK9 P45984 2/20 0.38
TP53 P04637 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MAPK10 P53779 1/20 0.38
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 1/20 0.37
KDM1A O60341 1/20 0.37

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
SCHEMBL764428 0.91 BDKRB1 (0.51) BDKRB1MAPK14CYP3A4VNN1SLC22A12
SCHEMBL13165769 0.91 BDKRB1 (0.44) BDKRB1MAPK14CYP3A4HPGDSVNN1
SCHEMBL765805 0.90 BDKRB1 (0.49) BDKRB1MAPK14CYP3A4SLC22A12
SCHEMBL764449 0.90 BDKRB1 (0.49) BDKRB1MAPK14CYP3A4SLC22A12CHRM4
SCHEMBL765656 0.90 BDKRB1 (0.49) BDKRB1MAPK14CYP3A4VNN1KDM1A
SCHEMBL765846 0.90 BDKRB1 (0.49) BDKRB1MAPK14CYP3A4VNN1KDM1A
SCHEMBL765845 0.88 MAPK14 (0.58) BDKRB1MAPK14CYP3A4
SCHEMBL12262021 0.88 BDKRB1 (0.56) BDKRB1CYP3A4HPGDSPDGFRBFLT4
SCHEMBL765565 0.88 BDKRB1 (0.56) BDKRB1MAPK14CYP3A4HPGDSPDGFRB
SCHEMBL765145 0.87 BDKRB1 (0.48) BDKRB1MAPK14CYP3A4KDM1AHDAC1

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.