SCHEMBL1705210

SCHEMBL1705210

CCN(CCOC)C1CCC(Oc2ccc3cnccc3c2)CC1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 7/20 0.48
PRKCZ Q05513 1/20 0.47
ROCK1 Q13464 4/20 0.46
ROCK2 O75116 1/20 0.41
PRMT3 O60678 3/20 0.34
CHUK O15111 4/20 0.34
CHI3L1 P36222 1/20 0.33
CYP3A4 P08684 1/20 0.32
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
LCK P06239 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
SCHEMBL1705052 0.83 IKBKB (0.49) IKBKBPRKCZROCK1ROCK2PRMT3
SCHEMBL1705625 0.79 IKBKB (0.54) IKBKBPRKCZROCK1ROCK2PRMT3
SCHEMBL1705084 0.79 IKBKB (0.59) IKBKBPRKCZROCK1ROCK2PRMT3
SCHEMBL1705062 0.79 IKBKB (0.59) IKBKBPRKCZROCK1ROCK2PRMT3
SCHEMBL1705083 0.79 IKBKB (0.59) IKBKBPRKCZROCK1ROCK2PRMT3
SCHEMBL1705054 0.79 IKBKB (0.59) IKBKBPRKCZROCK1ROCK2PRMT3
SCHEMBL1754939 0.79 IKBKB (0.59) IKBKBPRKCZROCK1ROCK2PRMT3
SCHEMBL1705056 0.79 IKBKB (0.59) IKBKBPRKCZROCK1ROCK2PRMT3
SCHEMBL1705261 0.74 IKBKB (0.51) IKBKBPRKCZROCK1ROCK2PRMT3
SCHEMBL1705662 0.74 IKBKB (0.51) IKBKBPRKCZROCK1ROCK2PRMT3

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 IKBKB 1991/4885PRKCZ 36/4885ROCK1 8/4885

“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.