SCHEMBL765173

SCHEMBL765173

O=C(NC1(C(=O)NCc2ccc(Oc3ccc(O)cc3Cl)cc2Cl)CC1)c1cncnc1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 5/20 0.43
ROCK2 O75116 2/20 0.35
ROCK1 Q13464 2/20 0.35
P2RX7 Q99572 3/20 0.34
CNR1 P21554 1/20 0.33
STK39 Q9UEW8 2/20 0.33
F10 P00742 1/20 0.33
PARG Q86W56 1/20 0.33
HTR2A P28223 1/20 0.32
SLC6A4 P31645 1/20 0.32
KCNH2 Q12809 1/20 0.32
MAPK14 Q16539 1/20 0.32
EGLN2 Q96KS0 2/20 0.32
EGLN1 Q9GZT9 2/20 0.32

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
SCHEMBL12239086 0.90 BDKRB1 (0.45) BDKRB1ROCK2ROCK1P2RX7CNR1
SCHEMBL2540993 0.89 BDKRB1 (0.49) BDKRB1ROCK2ROCK1P2RX7CNR1
SCHEMBL13165597 0.83 BDKRB1 (0.40) BDKRB1ROCK2ROCK1P2RX7HTR2A
SCHEMBL765556 0.83 BDKRB1 (0.51) BDKRB1CNR1MAPK14
SCHEMBL13165589 0.82 BDKRB1 (0.38) BDKRB1ROCK2ROCK1P2RX7F10
SCHEMBL12262764 0.82 BDKRB1 (0.55) BDKRB1CNR1F10MAPK14
SCHEMBL765617 0.82 BDKRB1 (0.52) BDKRB1CNR1MAPK14
SCHEMBL2546946 0.82 BDKRB1 (0.47) BDKRB1CNR1MAPK14
SCHEMBL2786005 0.82 P2RX7 (0.40) BDKRB1ROCK2ROCK1P2RX7F10
SCHEMBL2787715 0.81 BDKRB1 (0.38) BDKRB1ROCK2ROCK1P2RX7F10

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 8 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
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
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 1/4885ROCK2 2616/4885ROCK1 1241/4885

“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.