SCHEMBL764428

SCHEMBL764428

Cc1ccc(Oc2ccc(CNC(=O)C3(NC(=O)c4cncnc4)CC3)cc2)c(C#N)c1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 4/20 0.51
MAPK14 Q16539 7/20 0.44
CYP3A4 P08684 3/20 0.44
LIPG Q9Y5X9 1/20 0.39
MMP13 P45452 2/20 0.38
MMP2 P08253 1/20 0.38
STAT3 P40763 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
SLC22A12 Q96S37 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
VNN1 O95497 1/20 0.36
CTSL P07711 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 0.91 BDKRB1 (0.53) BDKRB1MAPK14CYP3A4SLC22A12VNN1
SCHEMBL765846 0.90 BDKRB1 (0.49) BDKRB1MAPK14CYP3A4VNN1CTSL
SCHEMBL765805 0.90 BDKRB1 (0.49) BDKRB1MAPK14CYP3A4SLC22A12CTSL
SCHEMBL765656 0.90 BDKRB1 (0.49) BDKRB1MAPK14CYP3A4VNN1CTSL
SCHEMBL764449 0.90 BDKRB1 (0.49) BDKRB1MAPK14CYP3A4SLC22A12
SCHEMBL12239078 0.88 BDKRB1 (0.54) BDKRB1MAPK14CYP3A4LIPGMMP13
SCHEMBL765845 0.88 MAPK14 (0.58) BDKRB1MAPK14CYP3A4MMP13HTT
SCHEMBL765145 0.87 BDKRB1 (0.48) BDKRB1MAPK14CYP3A4
SCHEMBL10121533 0.87 BDKRB1 (0.53) BDKRB1MAPK14CYP3A4LIPGMMP13
SCHEMBL12239087 0.87 BDKRB1 (0.53) BDKRB1MAPK14CYP3A4LIPGMMP13

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 3 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

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.