SCHEMBL754388

SCHEMBL754388

CC(N)c1ccc(Oc2ccccc2Cl)cc1F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XIAP P98170 1/20 0.47
PDE2A O00408 1/20 0.45
HTR2A P28223 7/20 0.44
SLC6A4 P31645 7/20 0.44
KCNH2 Q12809 5/20 0.44
AR P10275 1/20 0.42
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 2/20 0.39
LMNA P02545 2/20 0.39
CYP2D6 P10635 1/20 0.39
NFKB1 P19838 1/20 0.39
PNMT P11086 1/20 0.39
TP53 P04637 1/20 0.39
HTT P42858 1/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPT P10636 1/20 0.39
CYP2C9 P11712 1/20 0.39
HPGD P15428 1/20 0.39
CYP2C19 P33261 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL754808 0.87 HTR2A (0.50) XIAPHTR2ASLC6A4KCNH2AR
SCHEMBL12239001 0.75 XIAP (0.57) XIAPHTR2ASLC6A4KCNH2AR
SCHEMBL12239002 0.74 PDE2A (0.47) PDE2ASLC6A4CYP2D6ALDH1A1KMT2A
SCHEMBL18331711 0.74 AR (0.44) XIAPHTR2ASLC6A4KCNH2AR
SCHEMBL755873 0.74 DPP4 (0.50) HTR2ASLC6A4KCNH2ARCYP3A4
SCHEMBL25962922 0.74 HTR2A (0.49) HTR2ASLC6A4KCNH2ARCYP1A2
SCHEMBL23123470 0.73 PDE2A (0.53) PDE2AHTR2ASLC6A4CYP1A2CYP2D6
SCHEMBL30932944 0.73 PDE2A (0.53) PDE2AHTR2ASLC6A4CYP1A2CYP2D6
SCHEMBL29757910 0.73 PDE2A (0.53) PDE2AHTR2ASLC6A4CYP1A2CYP2D6
SCHEMBL23123468 0.73 PDE2A (0.53) PDE2AHTR2ASLC6A4CYP1A2CYP2D6

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 XIAP 2951/4885PDE2A 1220/4885HTR2A 1467/4885

“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.