SCHEMBL755873

SCHEMBL755873

NCc1ccc(Oc2ccccc2Cl)cc1F

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.50
AR P10275 1/20 0.44
SLC6A4 P31645 11/20 0.43
HTR2A P28223 10/20 0.43
KCNH2 Q12809 9/20 0.43
PNMT P11086 1/20 0.42
SLC6A2 P23975 2/20 0.40
SLC6A3 Q01959 2/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP3A5 P20815 1/20 0.40
CYP2C19 P33261 1/20 0.40
SOS1 Q07889 1/20 0.40
CAMK2A Q9UQM7 1/20 0.39
HRH1 P35367 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
SCHEMBL756212 0.86 DPP4 (0.50) DPP4ARSLC6A4HTR2AKCNH2
SCHEMBL3642435 0.81 AR (0.41) ARSLC6A4HTR2AKCNH2SLC6A2
SCHEMBL506441 0.79 LTA4H (0.50) DPP4HRH1
SCHEMBL18331711 0.76 AR (0.44) ARSLC6A4HTR2AKCNH2
SCHEMBL921762 0.74 DPP4 (0.64) DPP4KCNH2
SCHEMBL756054 0.74 MAOB (0.51)
SCHEMBL754388 0.74 XIAP (0.47) ARSLC6A4HTR2AKCNH2PNMT
SCHEMBL112757 0.73 SLC6A2 (0.61) DPP4SLC6A4PNMTSLC6A2SLC6A3
SCHEMBL507330 0.73 SLC6A2 (0.44) SLC6A4KCNH2SLC6A2SLC6A3
SCHEMBL9119793 0.73 HTR2A (0.66) DPP4SLC6A4HTR2AKCNH2PNMT

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 11 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
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
EP-2188254-A1 NOVEL BRADYKININ B1-ANTAGONISTS Boehringer Ingelheim International GmbH (DE) 2010-05-26 EP disclosed
WO-2009027450-A1 NOVEL BRADYKININ B1-ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-03-05 WO 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 DPP4 3173/4885AR 1729/4885SLC6A4 2203/4885

“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.