SCHEMBL1705706

SCHEMBL1705706

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

nearest known ligand 0.63

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ IKBKB O14920 6/20 0.63
▸ PRKCZ Q05513 4/20 0.62
▸ ROCK1 Q13464 8/20 0.59
▸ SMYD3 Q9H7B4 1/20 0.50
▸ ROCK2 O75116 1/20 0.49
▸ CHUK O15111 4/20 0.43
▸ MKNK1 Q9BUB5 1/20 0.41
▸ MKNK2 Q9HBH9 1/20 0.41
▸ LCK P06239 2/20 0.40
▸ MAP4K4 O95819 1/20 0.38
▸ ABL1 P00519 2/20 0.38
▸ AKT1 P31749 1/20 0.37

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
SCHEMBL1705673 1.00 IKBKB (0.63) IKBKBPRKCZROCK1SMYD3ROCK2
SCHEMBL1705322 1.00 IKBKB (0.63) IKBKBPRKCZROCK1SMYD3ROCK2
SCHEMBL27179272 0.86 ROCK1 (0.72) IKBKBPRKCZROCK1ROCK2CHUK
SCHEMBL30824363 0.86 ROCK1 (0.72) IKBKBPRKCZROCK1ROCK2CHUK
SCHEMBL1705148 0.84 IKBKB (0.62) IKBKBPRKCZROCK1SMYD3ROCK2
SCHEMBL1705149 0.84 IKBKB (0.62) IKBKBPRKCZROCK1SMYD3ROCK2
SCHEMBL1705720 0.84 IKBKB (0.62) IKBKBPRKCZROCK1SMYD3ROCK2
SCHEMBL12192867 0.82 IKBKB (0.91) IKBKBPRKCZROCK1ROCK2CHUK
SCHEMBL1705623 0.81 IKBKB (0.59) IKBKBPRKCZROCK1SMYD3ROCK2
SCHEMBL1705062 0.81 IKBKB (0.59) IKBKBPRKCZROCK1ROCK2CHUK

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8710228-B2 Cycloalkylamine substituted isoquinoline derivatives SANOFI (FR) 2014-04-29 — — US claimed
EP-2125746-B1 CYCLOALKYLAMINE SUBSTITUTED ISOQUINOLINE DERIVATIVES SANOFI SA (FR) 2012-04-18 — — EP claimed
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-8710228-B2 Cycloalkylamine substituted isoquinoline derivatives SANOFI (FR) 2014-04-29 — — US disclosed
US-8710228-B2 Cycloalkylamine substituted isoquinoline derivatives SANOFI (FR) 2014-04-29 — — US disclosed
US-8710228-B2 Cycloalkylamine substituted isoquinoline derivatives SANOFI (FR) 2014-04-29 — — US disclosed
US-8609691-B2 Cyclohexylamin isoquinolone derivatives SANOFI (FR) 2013-12-17 — — US disclosed
EP-2125746-B1 CYCLOALKYLAMINE SUBSTITUTED ISOQUINOLINE DERIVATIVES SANOFI SA (FR) 2012-04-18 — — EP disclosed
US-20110251226-A1 CYCLOHEXYLAMIN ISOQUINOLONE DERIVATIVES SANOFI-AVENTIS (FR) 2011-10-13 — — US disclosed
US-20100081671-A1 Cycloalkylamine substituted isoquinoline derivatives SANOFI-AVENTIS (FR) 2010-04-01 — — US disclosed
EP-2125746-A1 CYCLOALKYLAMINE SUBSTITUTED ISOQUINOLINE DERIVATIVES Sanofi-Aventis (FR) 2009-12-02 — — 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
WO-2008077554-A1 CYCLOALKYLAMINE SUBSTITUTED ISOQUINOLINE DERIVATIVES SANOFI-AVENTIS (FR) 2008-07-03 — — WO 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 (3 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-20100081671-A1 Cycloalkylamine substituted isoquinoline derivatives MYLK2, MYLK, MYLK3 IKBKB 1991/4885PRKCZ 36/4885ROCK1 8/4885
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 180/4885ROCK1 3/4885
US-20110251226-A1 CYCLOHEXYLAMIN ISOQUINOLONE DERIVATIVES MYLK2, MYLK, MYLK3 IKBKB 766/4885PRKCZ 104/4885ROCK1 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.

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