SCHEMBL754808

SCHEMBL754808

CC(N)c1ccc(Oc2ccccc2Cl)cc1Cl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 9/20 0.50
SLC6A4 P31645 9/20 0.50
KCNH2 Q12809 9/20 0.50
LMNA P02545 2/20 0.50
TP53 P04637 1/20 0.50
HTT P42858 1/20 0.50
XIAP P98170 1/20 0.50
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
NFKB1 P19838 1/20 0.42
PNMT P11086 1/20 0.42
AR P10275 2/20 0.42
SLC6A2 P23975 1/20 0.41
SLC6A3 Q01959 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GLA P06280 1/20 0.41
DPP4 P27487 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
SCN5A Q14524 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
SCHEMBL754388 0.87 XIAP (0.47) HTR2ASLC6A4KCNH2LMNATP53
SCHEMBL12239001 0.79 XIAP (0.57) HTR2ASLC6A4KCNH2HTTXIAP
SCHEMBL17795716 0.76 LMNA (0.60) HTR2ASLC6A4KCNH2LMNATP53
SCHEMBL14397395 0.76 HTR2A (0.58) HTR2ASLC6A4KCNH2CYP3A4CYP2D6
SCHEMBL14396806 0.75 AR (0.54) HTR2ASLC6A4KCNH2LMNAXIAP
Hydrochloric Acid SCHEMBL31521511 0.75 LMNA (0.58) HTR2ASLC6A4KCNH2LMNATP53
SCHEMBL25962922 0.74 HTR2A (0.49) HTR2ASLC6A4KCNH2CYP1A2CYP3A4
SCHEMBL23022221 0.73 LMNA (0.56) LMNATP53HTTCYP1A2CYP3A4
SCHEMBL9702388 0.73 XIAP (0.45) HTR2ASLC6A4KCNH2LMNAHTT
SCHEMBL7176453 0.73 DPP4 (0.53) SLC6A4KCNH2LMNAHTTXIAP

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 10 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
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 HTR2A 1467/4885SLC6A4 2203/4885KCNH2 61/4885

“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.