SCHEMBL12193230

SCHEMBL12193230

CC(C)CCN1CCC(Oc2cc(Cl)c3cnccc3c2)CC1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 2/20 0.49
▸ ROCK1 Q13464 8/20 0.43
▸ ROCK2 O75116 5/20 0.43
▸ PARP1 P09874 1/20 0.41
▸ HRH1 P35367 2/20 0.37
▸ CCR3 P51677 1/20 0.37
▸ IKBKB O14920 2/20 0.37
▸ WNT1 P04628 1/20 0.37
▸ DYRK1A Q13627 1/20 0.37
▸ KCNH2 Q12809 1/20 0.36
▸ CCR2 P41597 1/20 0.36

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
SCHEMBL12193225 0.89 NAMPT (0.47) NAMPTROCK1ROCK2HRH1CCR3
SCHEMBL12193218 0.88 HRH3 (0.46) ROCK1ROCK2PARP1IKBKBCCR2
SCHEMBL12193219 0.86 MAOA (0.48) ROCK1ROCK2PARP1HRH1CCR3
SCHEMBL12193215 0.86 HRH3 (0.44) ROCK1ROCK2IKBKBKCNH2CCR2
SCHEMBL12192861 0.84 NAMPT (0.55) NAMPTROCK1ROCK2PARP1IKBKB
SCHEMBL12193229 0.84 HRH1 (0.44) ROCK1ROCK2HRH1CCR3KCNH2
SCHEMBL12193220 0.84 HRH3 (0.46) —
SCHEMBL12193235 0.83 ROCK1 (0.40) NAMPTROCK1ROCK2HRH1CCR3
SCHEMBL12193264 0.81 ROCK1 (0.49) ROCK1ROCK2HRH1CCR3KCNH2
SCHEMBL12193238 0.81 NAMPT (0.47) NAMPTROCK1ROCK2HRH1CCR3

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 NAMPT 1560/4885ROCK1 7/4885ROCK2 5/4885
US-20090088429-A1 Isoquinoline Derivatives MYLK2, MYLK, RHOT2 NAMPT 1560/4885ROCK1 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.

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