SCHEMBL4367987

SCHEMBL4367987

NCc1ccc(Oc2ccc(F)cc2Cl)cc1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ST14 Q9Y5Y6 1/20 0.50
MAOB P27338 4/20 0.47
LOXL2 Q9Y4K0 1/20 0.47
ROCK2 O75116 1/20 0.45
ROCK1 Q13464 1/20 0.45
DPP4 P27487 1/20 0.45
SLC6A4 P31645 3/20 0.44
SLC6A2 P23975 2/20 0.44
SLC6A3 Q01959 2/20 0.44
HTR2A P28223 2/20 0.44
KCNH2 Q12809 2/20 0.44
SCN9A Q15858 1/20 0.44
CSNK2A1 P68400 3/20 0.44
FFAR1 O14842 3/20 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
SCHEMBL4369522 0.90 CSNK2A1 (0.51) ST14MAOBLOXL2ROCK2ROCK1
SCHEMBL12239005 0.83 FFAR1 (0.60) ST14MAOBSLC6A2SLC6A3FFAR1
SCHEMBL4370586 0.83 HSPB1 (0.54) ST14MAOBLOXL2ROCK2ROCK1
SCHEMBL765563 0.83 SLC6A2 (0.47) LOXL2ROCK2ROCK1SLC6A4SLC6A2
SCHEMBL21186209 0.81 PDE7A (0.56) MAOBSLC6A4SLC6A2SLC6A3HTR2A
SCHEMBL31264488 0.81 PDE7A (0.56) MAOBSLC6A4SLC6A2SLC6A3HTR2A
SCHEMBL13904294 0.81 ST14 (0.50) ST14MAOBROCK2ROCK1DPP4
SCHEMBL12239036 0.81 ST14 (0.50) ST14MAOBLOXL2SLC6A4HTR2A
SCHEMBL13904298 0.81 MAOB (0.50) ST14MAOBLOXL2ROCK2ROCK1
SCHEMBL2540071 0.81 ST14 (0.50) ST14MAOBROCK2ROCK1SLC6A4

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
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-2009117421-A2 HETEROCYCLIC MODULATORS OF GPR119 FOR TREATMENT OF DISEASE KALYPSYS, INC. (US) 2009-09-24 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 ST14 4642/4885MAOB 420/4885LOXL2 3469/4885

“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.