SCHEMBL10121373

SCHEMBL10121373

COC(=O)c1ccc(Cl)c(Oc2ccc(CNC(=O)C3(NC(=O)c4cncnc4)CC3)cc2)c1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 6/20 0.58
MAPK14 Q16539 3/20 0.42
CNR1 P21554 2/20 0.40
LMNA P02545 1/20 0.38
F10 P00742 1/20 0.38
CYP3A4 P08684 1/20 0.37
LIPG Q9Y5X9 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36
ALDH1A1 P00352 1/20 0.36
NAMPT P43490 1/20 0.36
KDM1A O60341 1/20 0.36
HDAC1 Q13547 1/20 0.36

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
SCHEMBL765809 0.93 BDKRB1 (0.51) BDKRB1MAPK14CNR1LMNAF10
SCHEMBL764501 0.92 BDKRB1 (0.49) BDKRB1MAPK14CNR1LMNACYP3A4
SCHEMBL12239081 0.92 BDKRB1 (0.52) BDKRB1MAPK14CNR1LMNAF10
SCHEMBL12262023 0.91 BDKRB1 (0.55) BDKRB1MAPK14CNR1LMNAF10
SCHEMBL765558 0.90 BDKRB1 (0.50) BDKRB1MAPK14CNR1LMNACYP3A4
SCHEMBL765555 0.89 BDKRB1 (0.53) BDKRB1MAPK14CNR1CYP3A4LIPG
SCHEMBL765647 0.89 BDKRB1 (0.52) BDKRB1MAPK14CNR1LMNACYP3A4
SCHEMBL765556 0.88 BDKRB1 (0.51) BDKRB1MAPK14CNR1CYP3A4LIPG
SCHEMBL12262764 0.86 BDKRB1 (0.55) BDKRB1MAPK14CNR1F10ALDH1A1
SCHEMBL764457 0.85 BDKRB1 (0.56) BDKRB1MAPK14CNR1F10CYP3A4

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 1/4885MAPK14 1751/4885CNR1 72/4885

“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.