SCHEMBL765829

SCHEMBL765829

CCOc1ccc(Oc2ccc(CNC(=O)C3(NC(=O)c4cncnc4)CC3)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 4/20 0.59
LMNA P02545 3/20 0.48
ACACB O00763 1/20 0.48
MAPK1 P28482 2/20 0.45
EPHX2 P34913 1/20 0.45
NR1H4 Q96RI1 1/20 0.45
NAMPT P43490 1/20 0.44
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
POLB P06746 2/20 0.41
XDH P47989 1/20 0.41
MMP13 P45452 2/20 0.40
MMP2 P08253 1/20 0.40
CYP3A4 P08684 1/20 0.40
STAT3 P40763 1/20 0.40
HTT P42858 1/20 0.40
MAPK14 Q16539 1/20 0.40

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 0.89 BDKRB1 (0.61) BDKRB1LMNASMN1; SMN2MMP13MMP2
SCHEMBL765812 0.89 BDKRB1 (0.63) BDKRB1EPHX2NR1H4NAMPTNPC1
SCHEMBL12239063 0.88 BDKRB1 (0.60) BDKRB1LMNAEPHX2NR1H4RAB9A
SCHEMBL764413 0.88 BDKRB1 (0.64) BDKRB1LMNAEPHX2NAMPTSMN1; SMN2
SCHEMBL10121362 0.87 BDKRB1 (0.58) BDKRB1SMN1; SMN2MMP13MMP2CYP3A4
SCHEMBL764441 0.87 BDKRB1 (0.58) BDKRB1LMNASMN1; SMN2MMP13MMP2
SCHEMBL12262809 0.87 BDKRB1 (0.58) BDKRB1LMNAEPHX2NR1H4SMN1; SMN2
SCHEMBL764455 0.86 BDKRB1 (0.57) BDKRB1LMNAEPHX2NR1H4SMN1; SMN2
SCHEMBL12239076 0.85 BDKRB1 (0.56) BDKRB1LMNAEPHX2NR1H4NPC1
SCHEMBL765169 0.84 BDKRB1 (0.55) BDKRB1LMNANAMPTSMN1; SMN2MMP13

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 1/4885LMNA 1305/4885ACACB 4852/4885

“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.