SCHEMBL4608510

SCHEMBL4608510

Oc1nccc2cc(O[C@H]3CC[C@@H](NC4CC4)CC3)c(Cl)cc12

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMO O15229 7/20 0.41
MAP2K1 Q02750 1/20 0.37
RORC P51449 1/20 0.36
AR P10275 6/20 0.36
KMT5B Q4FZB7 1/20 0.34
KMT5C Q86Y97 1/20 0.34
IRAK4 Q9NWZ3 1/20 0.33
IDO1 P14902 1/20 0.32
ROCK1 Q13464 1/20 0.32
EGLN1 Q9GZT9 1/20 0.32

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
SCHEMBL4608506 1.00 KMO (0.41) KMOMAP2K1RORCARKMT5B
SCHEMBL2337304 0.86 KMO (0.41) KMOMAP2K1RORCIRAK4ROCK1
SCHEMBL2337307 0.86 KMO (0.41) KMOMAP2K1RORCIRAK4ROCK1
Hydrochloric Acid SCHEMBL2338812 0.85 KMO (0.41) KMOMAP2K1RORCIRAK4ROCK1
Hydrochloric Acid SCHEMBL2338809 0.85 KMO (0.41) KMOMAP2K1RORCIRAK4ROCK1
SCHEMBL4961099 0.85 KMO (0.41) KMOMAP2K1RORCIRAK4ROCK1
SCHEMBL4961096 0.85 KMO (0.41) KMOMAP2K1RORCIRAK4ROCK1
SCHEMBL8934704 0.84 MAP2K1 (0.50) KMOMAP2K1ROCK1
SCHEMBL8934714 0.79 HRH3 (0.39)
SCHEMBL8939229 0.78 IGF1R (0.39) ROCK1

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 5 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-8609691-B2 Cyclohexylamin isoquinolone derivatives SANOFI (FR) 2013-12-17 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

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-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 KMO 2877/4885MAP2K1 460/4885RORC 2590/4885

“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.