SCHEMBL12239072

SCHEMBL12239072

Cc1ccc(Oc2ccc(CNC(=O)C3(NC(=O)c4cncnc4)CC3)cc2F)cc1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 4/20 0.51
CNR1 P21554 2/20 0.41
MMP13 P45452 3/20 0.40
MAPK14 Q16539 2/20 0.40
CYP3A4 P08684 2/20 0.40
MMP2 P08253 1/20 0.40
STAT3 P40763 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PPARD Q03181 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
CARM1 Q86X55 2/20 0.38
PRMT6 Q96LA8 2/20 0.38
CHRNA7 P36544 1/20 0.38
CXCR4 P61073 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
SCHEMBL12239059 0.94 BDKRB1 (0.53) BDKRB1CNR1MMP13MAPK14CYP3A4
SCHEMBL2547691 0.93 BDKRB1 (0.53) BDKRB1CNR1PPARD
SCHEMBL10121264 0.91 BDKRB1 (0.49) BDKRB1CNR1MAPK14CYP3A4HTT
SCHEMBL765537 0.91 BDKRB1 (0.54) BDKRB1CNR1MMP13MAPK14CYP3A4
SCHEMBL765652 0.90 BDKRB1 (0.49) BDKRB1CNR1SMN1; SMN2PPARDCARM1
SCHEMBL10121356 0.90 BDKRB1 (0.48) BDKRB1CNR1PPARDCARM1PRMT6
SCHEMBL12262806 0.89 BDKRB1 (0.55) BDKRB1CNR1PPARDCXCR4
SCHEMBL12239073 0.89 BDKRB1 (0.47) BDKRB1CNR1
SCHEMBL12239074 0.89 BDKRB1 (0.49) BDKRB1CNR1CARM1PRMT6
SCHEMBL764420 0.88 BDKRB1 (0.48) BDKRB1CNR1PPARDCARM1PRMT6

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 1/4885CNR1 72/4885MMP13 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.