SCHEMBL4597465

SCHEMBL4597465

CC(=O)N[C@H]1CC[C@H](Oc2ccc3c(Cl)nccc3c2)CC1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 4/20 0.44
EPHX2 P34913 8/20 0.41
AR P10275 1/20 0.41
RAF1 P04049 2/20 0.41
BRAF P15056 1/20 0.41
KDR P35968 4/20 0.40
AURKA O14965 3/20 0.40
MET P08581 3/20 0.40
TEK Q02763 3/20 0.40
ABL1 P00519 2/20 0.39
LCK P06239 2/20 0.39
LYN P07948 1/20 0.39
FGR P09769 1/20 0.39
AURKB Q96GD4 1/20 0.39
ROCK2 O75116 1/20 0.39
KCNH2 Q12809 1/20 0.39
HRH3 Q9Y5N1 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
SCHEMBL2333972 1.00 ROCK1 (0.44) ROCK1EPHX2ARRAF1BRAF
SCHEMBL26928502 0.90 ROCK1 (0.45) ROCK1EPHX2ARRAF1BRAF
SCHEMBL26928507 0.90 ROCK1 (0.45) ROCK1EPHX2ARRAF1BRAF
SCHEMBL30738183 0.87 EPHX2 (0.47) ROCK1EPHX2ARRAF1BRAF
SCHEMBL2334308 0.87 EPHX2 (0.47) ROCK1EPHX2ARRAF1BRAF
SCHEMBL2334311 0.87 EPHX2 (0.47) ROCK1EPHX2ARRAF1BRAF
SCHEMBL3372945 0.84 ROCK1 (0.57) ROCK1ABL1ROCK2KCNH2
SCHEMBL30824419 0.82 EPHX2 (0.39) ROCK1EPHX2RAF1BRAFROCK2
SCHEMBL26957025 0.82 EPHX2 (0.39) ROCK1EPHX2RAF1BRAFROCK2
SCHEMBL30738020 0.82 KDR (0.40) ROCK1EPHX2ARRAF1BRAF

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8796458-B2 Cyclohexylamine isoquinolone derivatives SANOFI (FR) 2014-08-05 US disclosed
US-8796458-B2 Cyclohexylamine isoquinolone derivatives SANOFI (FR) 2014-08-05 US disclosed
US-8796458-B2 Cyclohexylamine isoquinolone derivatives SANOFI (FR) 2014-08-05 US disclosed
US-8609691-B2 Cyclohexylamin isoquinolone derivatives SANOFI (FR) 2013-12-17 US disclosed
US-20110251226-A1 CYCLOHEXYLAMIN ISOQUINOLONE DERIVATIVES SANOFI-AVENTIS (FR) 2011-10-13 US disclosed
US-20110251226-A1 CYCLOHEXYLAMIN ISOQUINOLONE DERIVATIVES SANOFI-AVENTIS (FR) 2011-10-13 US disclosed
EP-1912949-B1 CYCLOHEXYLAMIN ISOQUINOLONE DERIVATIVES AS RHO-KINASE INHIBITORS SANOFI SA (FR) 2011-08-24 EP disclosed
US-20080242699-A1 Rho-kinase and/or Rho-kinase mediated phosphorylation of myosin light chain phosphatase inhibitors; Hypotensive agents; 6-(4-Amino-cyclohexyloxy)-2-(4-methoxy-benzyl)-7-propyl-2H-isoquinolin-1-one SANOFI-AVENTIS (FR) 2008-10-02 US disclosed
US-20080242699-A1 Rho-kinase and/or Rho-kinase mediated phosphorylation of myosin light chain phosphatase inhibitors; Hypotensive agents; 6-(4-Amino-cyclohexyloxy)-2-(4-methoxy-benzyl)-7-propyl-2H-isoquinolin-1-one SANOFI-AVENTIS (FR) 2008-10-02 US disclosed
US-20080242699-A1 Rho-kinase and/or Rho-kinase mediated phosphorylation of myosin light chain phosphatase inhibitors; Hypotensive agents; 6-(4-Amino-cyclohexyloxy)-2-(4-methoxy-benzyl)-7-propyl-2H-isoquinolin-1-one SANOFI-AVENTIS (FR) 2008-10-02 US disclosed
EP-1912949-A1 CYCLOHEXYLAMIN ISOQUINOLONE DERIVATIVES AS RHO-KINASE INHIBITORS Sanofi-Aventis (FR) 2008-04-23 EP disclosed
WO-2007012422-A1 CYCLOHEXYLAMIN ISOQUINOLONE DERIVATIVES AS RHO-KINASE INHIBITORS SANOFI-AVENTIS (DE) 2007-02-01 WO disclosed
WO-2007012422-A1 CYCLOHEXYLAMIN ISOQUINOLONE DERIVATIVES AS RHO-KINASE INHIBITORS SANOFI-AVENTIS (DE) 2007-02-01 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 (2 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-20080242699-A1 Rho-kinase and/or Rho-kinase mediated phosphorylation of myosin light chain phosphatase inhibitors; Hypotensive agents; 6-(4-Amino-cyclohexyloxy)-2-(4-methoxy-benzyl)-7-propyl-2H-isoquinolin-1-one MYLK, MYLK2, ROCK1 ROCK1 3/4885EPHX2 2909/4885AR 4771/4885
US-20110251226-A1 CYCLOHEXYLAMIN ISOQUINOLONE DERIVATIVES MYLK2, MYLK, MYLK3 ROCK1 7/4885EPHX2 2266/4885AR 4815/4885

“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.