SCHEMBL12239063

SCHEMBL12239063

CC(=O)c1ccc(Oc2ccc(CNC(=O)C3(NC(=O)c4cncnc4)CC3)cc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 5/20 0.60
MAPK14 Q16539 6/20 0.43
MMP13 P45452 5/20 0.43
CYP3A4 P08684 4/20 0.43
HTT P42858 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MMP2 P08253 1/20 0.43
STAT3 P40763 1/20 0.43
LMNA P02545 1/20 0.41
F10 P00742 1/20 0.41
HPGD P15428 2/20 0.41
RAB9A P51151 2/20 0.40
MAPT P10636 1/20 0.40
EPHX2 P34913 1/20 0.39
NR1H4 Q96RI1 1/20 0.39
CNR1 P21554 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
SCHEMBL764432 0.90 BDKRB1 (0.61) BDKRB1MAPK14MMP13CYP3A4HTT
SCHEMBL765812 0.90 BDKRB1 (0.63) BDKRB1MAPK14MMP13CYP3A4HTT
SCHEMBL764455 0.89 BDKRB1 (0.57) BDKRB1MAPK14MMP13CYP3A4HTT
SCHEMBL764413 0.89 BDKRB1 (0.64) BDKRB1MAPK14MMP13CYP3A4HTT
SCHEMBL765546 0.89 BDKRB1 (0.53) BDKRB1MAPK14MMP13CYP3A4HTT
SCHEMBL765829 0.88 BDKRB1 (0.59) BDKRB1MAPK14MMP13CYP3A4HTT
SCHEMBL764441 0.88 BDKRB1 (0.58) BDKRB1MAPK14MMP13CYP3A4HTT
SCHEMBL10121362 0.88 BDKRB1 (0.58) BDKRB1MAPK14MMP13CYP3A4SMN1; SMN2
SCHEMBL12239081 0.88 BDKRB1 (0.52) BDKRB1MAPK14MMP13CYP3A4HTT
SCHEMBL12262809 0.88 BDKRB1 (0.58) BDKRB1MAPK14MMP13CYP3A4HTT

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 2 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-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 1751/4885MMP13 3730/4885

“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.