SCHEMBL765565

SCHEMBL765565

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 4/20 0.56
HPGDS O60760 1/20 0.42
MAPK14 Q16539 1/20 0.42
F10 P00742 1/20 0.41
LIPG Q9Y5X9 1/20 0.41
L3MBTL1 Q9Y468 3/20 0.40
ALDH1A1 P00352 2/20 0.40
CYP1A2 P05177 1/20 0.40
POLB P06746 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
HPGD P15428 1/20 0.40
CYP2C19 P33261 1/20 0.40
ATM Q13315 1/20 0.40
KDM1A O60341 1/20 0.39
HDAC1 Q13547 1/20 0.39
GSK3B P49841 1/20 0.39
PDGFRB P09619 1/20 0.39
FLT4 P35916 1/20 0.39
NAMPT P43490 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
SCHEMBL12239078 0.92 BDKRB1 (0.54) BDKRB1MAPK14LIPGL3MBTL1CYP3A4
SCHEMBL12262021 0.91 BDKRB1 (0.56) BDKRB1HPGDSF10L3MBTL1ALDH1A1
SCHEMBL765546 0.90 BDKRB1 (0.53) BDKRB1MAPK14F10LIPGCYP3A4
SCHEMBL10121385 0.90 BDKRB1 (0.53) BDKRB1MAPK14LIPGL3MBTL1CYP3A4
SCHEMBL765842 0.90 BDKRB1 (0.53) BDKRB1MAPK14LIPGL3MBTL1ALDH1A1
SCHEMBL12262764 0.90 BDKRB1 (0.55) BDKRB1HPGDSMAPK14F10L3MBTL1
SCHEMBL12262806 0.90 BDKRB1 (0.55) BDKRB1HPGDSF10L3MBTL1ALDH1A1
SCHEMBL12261979 0.88 BDKRB1 (0.54) BDKRB1HPGDSF10L3MBTL1ALDH1A1
SCHEMBL765812 0.88 BDKRB1 (0.63) BDKRB1HPGDSMAPK14F10L3MBTL1
SCHEMBL12262023 0.88 BDKRB1 (0.55) BDKRB1HPGDSMAPK14F10L3MBTL1

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 1/4885HPGDS 1136/4885MAPK14 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.