SCHEMBL12192811

SCHEMBL12192811

CCN1CCC(Oc2ccc3cnccc3c2)CC1

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 6/20 0.56
ROCK1 Q13464 5/20 0.56
ROCK2 O75116 2/20 0.56
PRKCZ Q05513 1/20 0.55
HRH3 Q9Y5N1 7/20 0.52
CHUK O15111 3/20 0.45
CCR2 P41597 1/20 0.45
CYP3A4 P08684 1/20 0.40

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
SCHEMBL12192814 0.90 IKBKB (0.54) IKBKBROCK1ROCK2PRKCZHRH3
SCHEMBL12192818 0.88 MAOA (0.54) IKBKBROCK1ROCK2PRKCZHRH3
SCHEMBL12192834 0.87 IKBKB (0.56) IKBKBROCK1ROCK2PRKCZHRH3
SCHEMBL12192816 0.87 IKBKB (0.51) IKBKBROCK1ROCK2PRKCZHRH3
SCHEMBL12192815 0.86 HRH3 (0.56) IKBKBROCK1ROCK2PRKCZHRH3
SCHEMBL12192828 0.86 ROCK1 (0.61) IKBKBROCK1ROCK2PRKCZHRH3
SCHEMBL12192817 0.86 ROCK1 (0.50) IKBKBROCK1ROCK2PRKCZHRH3
SCHEMBL12192917 0.85 IKBKB (0.60) IKBKBROCK1ROCK2PRKCZHRH3
SCHEMBL12192861 0.84 NAMPT (0.55) IKBKBROCK1ROCK2PRKCZHRH3
SCHEMBL12192831 0.84 ROCK1 (0.56) IKBKBROCK1ROCK2PRKCZHRH3

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8722671-B2 Isoquinoline derivatives SANOFI (FR) 2014-05-13 US disclosed
US-8722671-B2 Isoquinoline derivatives SANOFI (FR) 2014-05-13 US disclosed
US-8501736-B2 Isoquinoline derivatives SANOFI (FR) 2013-08-06 US disclosed
US-8501736-B2 Isoquinoline derivatives SANOFI (FR) 2013-08-06 US disclosed
US-20110245248-A1 ISOQUINOLINE DERIVATIVES SANOFI-AVENTIS (FR) 2011-10-06 US disclosed
US-20110245248-A1 ISOQUINOLINE DERIVATIVES SANOFI-AVENTIS (FR) 2011-10-06 US disclosed
EP-1899322-B1 ISOQUINOLINE DERIVATIVES AS INHIBITORS OF RHO-KINASE SANOFI AVENTIS (FR) 2009-09-02 EP disclosed
US-20090088429-A1 Isoquinoline Derivatives SANOFI-AVENTIS (FR) 2009-04-02 US disclosed
US-20090088429-A1 Isoquinoline Derivatives SANOFI-AVENTIS (FR) 2009-04-02 US disclosed
WO-2007000240-A1 ISOQUINOLINE DERIVATIVES AS INHIBITORS OF RHO-KINASE SANOFI-AVENTIS (DE) 2007-01-04 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 (2 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-20110245248-A1 ISOQUINOLINE DERIVATIVES MYLK2, MYLK, RHOT2 IKBKB 866/4885ROCK1 7/4885ROCK2 5/4885
US-20090088429-A1 Isoquinoline Derivatives MYLK2, MYLK, RHOT2 IKBKB 866/4885ROCK1 7/4885ROCK2 5/4885

“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.