SCHEMBL765812

SCHEMBL765812

COc1ccc(Oc2ccc(CNC(=O)C3(NC(=O)c4cncnc4)CC3)cc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 4/20 0.63
F10 P00742 1/20 0.48
RAB9A P51151 4/20 0.46
ALDH1A1 P00352 3/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
CYP3A4 P08684 2/20 0.46
CYP1A2 P05177 1/20 0.46
POLB P06746 1/20 0.46
CYP2C9 P11712 1/20 0.46
HPGD P15428 1/20 0.46
CYP2C19 P33261 1/20 0.46
ATM Q13315 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.45
HDAC1 Q13547 2/20 0.44
KDM1A O60341 1/20 0.44
GAA P10253 1/20 0.43
NPC1 O15118 3/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
EPHX2 P34913 1/20 0.43

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
SCHEMBL13128626 0.92 BDKRB1 (0.61) BDKRB1F10RAB9AALDH1A1L3MBTL1
SCHEMBL764432 0.91 BDKRB1 (0.61) BDKRB1CYP3A4CYP2C9CYP2C19SMN1; SMN2
SCHEMBL12239063 0.90 BDKRB1 (0.60) BDKRB1F10RAB9ACYP3A4HPGD
SCHEMBL764413 0.90 BDKRB1 (0.64) BDKRB1CYP3A4HPGDSMN1; SMN2HDAC1
SCHEMBL12261990 0.90 BDKRB1 (0.58) BDKRB1ALDH1A1L3MBTL1NR1H4NAMPT
SCHEMBL2806959 0.90 BDKRB1 (0.59) BDKRB1F10RAB9AALDH1A1L3MBTL1
SCHEMBL765829 0.89 BDKRB1 (0.59) BDKRB1RAB9ACYP3A4POLBSMN1; SMN2
SCHEMBL10121362 0.89 BDKRB1 (0.58) BDKRB1L3MBTL1CYP3A4SMN1; SMN2MMP13
SCHEMBL764441 0.89 BDKRB1 (0.58) BDKRB1ALDH1A1L3MBTL1CYP3A4CYP1A2
SCHEMBL764458 0.89 BDKRB1 (0.64) BDKRB1F10RAB9ACYP3A4POLB

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 6 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-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
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 1/4885F10 546/4885RAB9A 2107/4885

“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.