SCHEMBL1704777

SCHEMBL1704777

CC1(c2ccc(CNC3CCC(Oc4ccc5cnccc5c4)CC3)cc2)NC(=O)NC1=O

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.43
ROCK1 Q13464 3/20 0.42
IKBKB O14920 1/20 0.42
PRKCZ Q05513 1/20 0.41
MMP13 P45452 5/20 0.39
ROCK2 O75116 1/20 0.39
ADAM17 P78536 3/20 0.39
HRH3 Q9Y5N1 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
MMP14 P50281 2/20 0.37
KDM4E B2RXH2 1/20 0.33
GAA P10253 1/20 0.33

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
SCHEMBL1754929 0.85 LMNA (0.43) LMNAROCK1IKBKBPRKCZMMP13
SCHEMBL1705839 0.81 ROCK1 (0.49) ROCK1IKBKBPRKCZROCK2HRH3
SCHEMBL1705073 0.79 ROCK2 (0.49) ROCK1IKBKBPRKCZROCK2HRH3
SCHEMBL1705684 0.79 IKBKB (0.51) ROCK1IKBKBPRKCZROCK2HRH3
SCHEMBL1705262 0.79 ROCK1 (0.45) ROCK1IKBKBPRKCZROCK2HRH3
SCHEMBL1705995 0.78 ROCK1 (0.47) ROCK1IKBKBPRKCZROCK2HRH3
SCHEMBL1705744 0.78 NAMPT (0.48) ROCK1IKBKBPRKCZROCK2HRH3
SCHEMBL1705071 0.77 ROCK1 (0.53) ROCK1IKBKBPRKCZROCK2HRH3
SCHEMBL1705070 0.77 ROCK1 (0.53) ROCK1IKBKBPRKCZROCK2HRH3
SCHEMBL1705674 0.77 ROCK1 (0.53) ROCK1IKBKBPRKCZROCK2HRH3

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 11 patents. 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-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
EP-2125746-B1 CYCLOALKYLAMINE SUBSTITUTED ISOQUINOLINE DERIVATIVES SANOFI SA (FR) 2012-04-18 EP disclosed
US-20100081671-A1 Cycloalkylamine substituted isoquinoline derivatives SANOFI-AVENTIS (FR) 2010-04-01 US disclosed
US-20100081671-A1 Cycloalkylamine substituted isoquinoline derivatives SANOFI-AVENTIS (FR) 2010-04-01 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
WO-2008077554-A1 CYCLOALKYLAMINE SUBSTITUTED ISOQUINOLINE DERIVATIVES SANOFI-AVENTIS (FR) 2008-07-03 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-20100081671-A1 Cycloalkylamine substituted isoquinoline derivatives MYLK2, MYLK, MYLK3 LMNA 1808/4885ROCK1 8/4885IKBKB 1991/4885

“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.