SCHEMBL1705009

SCHEMBL1705009

CCc1cncc2ccc(OC3CCC(N)CC3)cc12

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PRKCZ Q05513 16/20 0.46
IKBKB O14920 1/20 0.40
MTNR1A P48039 1/20 0.39
ROCK1 Q13464 1/20 0.39
MAP4K4 O95819 1/20 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
SCHEMBL1705010 1.00 PRKCZ (0.46) PRKCZIKBKBMTNR1AROCK1MAP4K4
SCHEMBL10182816 1.00 PRKCZ (0.46) PRKCZIKBKBMTNR1AROCK1MAP4K4
SCHEMBL2500632 0.85 PRKCZ (0.61) PRKCZIKBKBROCK1
SCHEMBL1705202 0.81 PRKCZ (0.49) PRKCZIKBKBROCK1MAP4K4
SCHEMBL1705203 0.81 PRKCZ (0.49) PRKCZIKBKBROCK1MAP4K4
SCHEMBL8178364 0.81 PRKCZ (0.49) PRKCZIKBKBROCK1MAP4K4
SCHEMBL8167822 0.79 PRKCZ (0.42) PRKCZIKBKBMTNR1A
SCHEMBL1705272 0.79 PRKCZ (0.42) PRKCZIKBKBMTNR1A
SCHEMBL1705273 0.79 PRKCZ (0.42) PRKCZIKBKBMTNR1A
SCHEMBL17981034 0.77 PRKCZ (0.63) PRKCZIKBKBROCK1

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 PRKCZ 36/4885IKBKB 1991/4885MTNR1A 1266/4885

“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.