SCHEMBL12211331

SCHEMBL12211331

N[C@H]1CC[C@H](Oc2cc3cc[nH]c(=O)c3cc2Cl)CC1

nearest known ligand 0.69

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 2/20 0.69
ROCK2 O75116 9/20 0.56
ROCK1 Q13464 10/20 0.55
PRKACA P17612 1/20 0.46
PRKCD Q05655 1/20 0.46
PRKG1 Q13976 1/20 0.46
PKN1 Q16512 1/20 0.46
PKN2 Q16513 1/20 0.46
AAK1 Q2M2I8 1/20 0.46
CDC42BPA Q5VT25 1/20 0.46
Q6ZSR9 Q6ZSR9 1/20 0.46
BMP2K Q9NSY1 1/20 0.46
CDC42BPB Q9Y5S2 1/20 0.46

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
SCHEMBL2338581 1.00 MAP2K1 (0.69) MAP2K1ROCK2ROCK1PRKACAPRKCD
SCHEMBL2338588 1.00 MAP2K1 (0.69) MAP2K1ROCK2ROCK1PRKACAPRKCD
Hydrochloric Acid SCHEMBL2337226 0.99 MAP2K1 (0.67) MAP2K1ROCK2ROCK1PRKACAPRKCD
Hydrochloric Acid SCHEMBL2336776 0.99 MAP2K1 (0.67) MAP2K1ROCK2ROCK1PRKACAPRKCD
Hydrochloric Acid SCHEMBL2336772 0.99 MAP2K1 (0.67) MAP2K1ROCK2ROCK1PRKACAPRKCD
SCHEMBL3225564 0.95 MAP2K1 (0.64) MAP2K1ROCK2ROCK1PRKACAPRKCD
SCHEMBL8202070 0.95 MAP2K1 (0.64) MAP2K1ROCK2ROCK1PRKACAPRKCD
SCHEMBL3225555 0.95 MAP2K1 (0.64) MAP2K1ROCK2ROCK1PRKACAPRKCD
SCHEMBL3225572 0.95 MAP2K1 (0.64) MAP2K1ROCK2ROCK1PRKACAPRKCD
SCHEMBL3211426 0.93 MAP2K1 (0.66) MAP2K1ROCK2ROCK1PRKACAPRKCD

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 8 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-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
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 MAP2K1 460/4885ROCK2 5/4885ROCK1 3/4885
US-20110251226-A1 CYCLOHEXYLAMIN ISOQUINOLONE DERIVATIVES MYLK2, MYLK, MYLK3 MAP2K1 1417/4885ROCK2 10/4885ROCK1 7/4885

“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.