SCHEMBL1705154

SCHEMBL1705154

CN(C)C(=O)CNCC1CCC(Oc2ccc3cnccc3c2)CC1

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PRMT3 O60678 11/20 0.50
IKBKB O14920 2/20 0.47
PRKCZ Q05513 1/20 0.46
ROCK1 Q13464 3/20 0.45
KDM4C Q9H3R0 1/20 0.41
ROCK2 O75116 1/20 0.41
ABL1 P00519 2/20 0.38

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
SCHEMBL1705660 0.84 IKBKB (0.53) PRMT3IKBKBPRKCZROCK1KDM4C
SCHEMBL1705155 0.83 IKBKB (0.49) PRMT3IKBKBPRKCZROCK1KDM4C
SCHEMBL1705057 0.78 IKBKB (0.54) PRMT3IKBKBPRKCZROCK1KDM4C
SCHEMBL1705055 0.78 IKBKB (0.54) PRMT3IKBKBPRKCZROCK1KDM4C
SCHEMBL1706096 0.78 IKBKB (0.54) PRMT3IKBKBPRKCZROCK1KDM4C
SCHEMBL1705000 0.78 ROCK1 (0.54) PRMT3IKBKBPRKCZROCK1ROCK2
SCHEMBL1705741 0.78 ROCK1 (0.54) PRMT3IKBKBPRKCZROCK1ROCK2
SCHEMBL1705194 0.78 ROCK1 (0.54) PRMT3IKBKBPRKCZROCK1ROCK2
SCHEMBL1754923 0.78 IKBKB (0.46) PRMT3IKBKBPRKCZROCK1KDM4C
SCHEMBL1705083 0.75 IKBKB (0.59) PRMT3IKBKBPRKCZROCK1ROCK2

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 7 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
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
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 PRMT3 641/4885IKBKB 1991/4885PRKCZ 36/4885

“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.