SCHEMBL764466

SCHEMBL764466

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

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 5/20 0.51
LIPG Q9Y5X9 1/20 0.39
MAPK14 Q16539 4/20 0.38
CYP3A4 P08684 2/20 0.38
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
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
CNR1 P21554 1/20 0.36
PTGER4 P35408 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PTGER2 P43116 1/20 0.35
MAPT P10636 1/20 0.35
MAPK1 P28482 1/20 0.35
KDM1A O60341 1/20 0.35
HDAC1 Q13547 1/20 0.35

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
SCHEMBL764412 0.91 BDKRB1 (0.53) BDKRB1L3MBTL1KDM1AHDAC1
SCHEMBL765146 0.91 BDKRB1 (0.50) BDKRB1MAPK14CYP3A4MMP13MMP2
SCHEMBL764457 0.90 BDKRB1 (0.56) BDKRB1MAPK14CYP3A4CNR1PTGER4
SCHEMBL765154 0.90 BDKRB1 (0.49) BDKRB1MAPK14CYP3A4HTTSMN1; SMN2
SCHEMBL2549218 0.90 BDKRB1 (0.49) BDKRB1MAPK14SMN1; SMN2CNR1PTGER4
SCHEMBL13904296 0.90 BDKRB1 (0.49) BDKRB1MAPK14CYP3A4CNR1PTGER4
SCHEMBL13904097 0.90 BDKRB1 (0.49) BDKRB1MAPK14CYP3A4CNR1PTGER4
SCHEMBL764431 0.90 BDKRB1 (0.49) BDKRB1MAPK14CYP3A4MMP13HTT
SCHEMBL10121503 0.90 BDKRB1 (0.51) BDKRB1MAPTKDM1AHDAC1
SCHEMBL10121323 0.89 BDKRB1 (0.49) BDKRB1MAPK14CNR1PTGER4PTGER2

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 1/4885LIPG 3012/4885MAPK14 1751/4885

“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.