SCHEMBL2335181

SCHEMBL2335181

CC(=O)N[C@H]1CC[C@@H](Oc2ccc3cnccc3c2)CC1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 3/20 0.53
PRKCZ Q05513 1/20 0.52
SMYD3 Q9H7B4 2/20 0.51
ROCK1 Q13464 3/20 0.50
PRMT3 O60678 3/20 0.47
LCK P06239 1/20 0.43
CSF1R P07333 1/20 0.43
KDR P35968 1/20 0.43
MAPK14 Q16539 1/20 0.43
ROCK2 O75116 1/20 0.43
ABL1 P00519 2/20 0.42
HRH3 Q9Y5N1 1/20 0.42
CHUK O15111 1/20 0.41
EPHX2 P34913 2/20 0.41
CCNC P24863 1/20 0.40
CDK8 P49336 1/20 0.40

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
SCHEMBL1705060 1.00 IKBKB (0.53) IKBKBPRKCZSMYD3ROCK1PRMT3
SCHEMBL1705061 1.00 IKBKB (0.53) IKBKBPRKCZSMYD3ROCK1PRMT3
SCHEMBL1705148 0.83 IKBKB (0.62) IKBKBPRKCZSMYD3ROCK1PRMT3
SCHEMBL1705720 0.83 IKBKB (0.62) IKBKBPRKCZSMYD3ROCK1PRMT3
SCHEMBL1705149 0.83 IKBKB (0.62) IKBKBPRKCZSMYD3ROCK1PRMT3
SCHEMBL1705018 0.81 IKBKB (0.56) IKBKBPRKCZSMYD3ROCK1PRMT3
SCHEMBL1705019 0.81 IKBKB (0.56) IKBKBPRKCZSMYD3ROCK1PRMT3
SCHEMBL1704953 0.80 PRMT3 (0.44) IKBKBPRKCZROCK1PRMT3ROCK2
SCHEMBL1705012 0.80 PRMT3 (0.44) IKBKBPRKCZROCK1PRMT3ROCK2
SCHEMBL1705554 0.80 PRMT3 (0.44) IKBKBPRKCZROCK1PRMT3ROCK2

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 12 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
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
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

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 IKBKB 727/4885PRKCZ 180/4885SMYD3 2294/4885
US-20110251226-A1 CYCLOHEXYLAMIN ISOQUINOLONE DERIVATIVES MYLK2, MYLK, MYLK3 IKBKB 766/4885PRKCZ 104/4885SMYD3 3210/4885

“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.