SCHEMBL765629

SCHEMBL765629

NCc1ccc(Oc2ccc(Cl)cc2F)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ST14 Q9Y5Y6 1/20 0.50
MAOB P27338 4/20 0.47
MAPT P10636 2/20 0.47
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
HPGD P15428 1/20 0.47
CYP2C19 P33261 1/20 0.47
KMT2A Q03164 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
SCN9A Q15858 5/20 0.47
ROCK2 O75116 1/20 0.45
ROCK1 Q13464 1/20 0.45
SLC6A2 P23975 2/20 0.43
SLC6A4 P31645 2/20 0.43
FFAR1 O14842 1/20 0.43
KCNH2 Q12809 1/20 0.43

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
SCHEMBL12238998 0.90 ROCK2 (0.51) ST14MAOBMAPTKDM4EMEN1
SCHEMBL757869 0.87 SLC6A2 (0.49) ROCK2ROCK1SLC6A2SLC6A4KCNH2
SCHEMBL12967227 0.84 SLC6A4 (0.47) MAPTKDM4EMEN1ALDH1A1CYP1A2
SCHEMBL4370586 0.83 HSPB1 (0.54) ST14MAOBROCK2ROCK1
SCHEMBL12239005 0.83 FFAR1 (0.60) ST14MAOBMAPTKDM4EMEN1
SCHEMBL14965170 0.81 MAOA (0.57) MAOBMAPTKDM4EMEN1ALDH1A1
SCHEMBL12239024 0.81 ST14 (0.50) ST14MAOBKDM4ECYP1A2ROCK2
SCHEMBL12239029 0.81 ST14 (0.50) ST14MAOBMAPTKDM4EMEN1
SCHEMBL765147 0.81 ST14 (0.50) ST14MAOBMAPTKDM4EMEN1
SCHEMBL12239032 0.80 ST14 (0.46) ST14MAOBMAPTKDM4EMEN1

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 6 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
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
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 ST14 4642/4885MAOB 420/4885MAPT 3258/4885

“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.