SCHEMBL765617

SCHEMBL765617

O=C(NC1(C(=O)NCc2ccc(Oc3ccc(Cl)cc3Cl)cc2)CC1)c1cncnc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 2/20 0.52
FFAR1 O14842 3/20 0.44
PTGER4 P35408 1/20 0.43
MAPK14 Q16539 2/20 0.42
ALDH1A1 P00352 5/20 0.41
HPGD P15428 3/20 0.41
KDM4E B2RXH2 2/20 0.41
LMNA P02545 2/20 0.41
GLA P06280 1/20 0.41
MAPK1 P28482 1/20 0.41
CYP3A4 P08684 1/20 0.41
HTT P42858 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
GSK3B P49841 1/20 0.39
GAA P10253 1/20 0.39
ATM Q13315 1/20 0.39
CNR1 P21554 1/20 0.38
TSHR P16473 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
PNLIP P16233 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
SCHEMBL765647 0.93 BDKRB1 (0.52) BDKRB1PTGER4MAPK14ALDH1A1HPGD
SCHEMBL2546702 0.91 BDKRB1 (0.51) BDKRB1PTGER4MAPK14KDM4ECYP3A4
SCHEMBL765831 0.91 BDKRB1 (0.51) BDKRB1PTGER4MAPK14CYP3A4GSK3B
SCHEMBL12262764 0.91 BDKRB1 (0.55) BDKRB1MAPK14ALDH1A1KDM4EL3MBTL1
SCHEMBL13904099 0.91 BDKRB1 (0.51) BDKRB1FFAR1PTGER4MAPK14CYP3A4
SCHEMBL10121533 0.91 BDKRB1 (0.53) BDKRB1PTGER4MAPK14CYP3A4HTT
SCHEMBL12238924 0.91 BDKRB1 (0.51) BDKRB1FFAR1PTGER4MAPK14ALDH1A1
SCHEMBL765842 0.91 BDKRB1 (0.53) BDKRB1PTGER4MAPK14ALDH1A1HPGD
SCHEMBL765524 0.91 BDKRB1 (0.51) BDKRB1PTGER4MAPK14ALDH1A1HPGD
SCHEMBL764493 0.91 BDKRB1 (0.51) BDKRB1PTGER4MAPK14ALDH1A1HPGD

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 1/4885FFAR1 375/4885PTGER4 185/4885

“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.