SCHEMBL2500642

SCHEMBL2500642

CC(C)(C)OC(=O)N1CCC(Oc2ccc3cnc(Cl)cc3c2)CC1

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 8/20 0.52
CHEK2 O96017 1/20 0.49
NPBWR1 P48145 1/20 0.47
MCHR1 Q99705 1/20 0.47
HRH3 Q9Y5N1 1/20 0.47

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
SCHEMBL18318621 0.92 CHEK2 (0.52) GPR119CHEK2NPBWR1MCHR1
SCHEMBL2774710 0.85 GPR119 (0.56) GPR119CHEK2NPBWR1MCHR1HRH3
SCHEMBL2503394 0.84 GPR119 (0.54) GPR119CHEK2HRH3
SCHEMBL29862463 0.84 GPR119 (0.54) GPR119CHEK2HRH3
SCHEMBL30701894 0.84 GPR119 (0.54) GPR119CHEK2HRH3
SCHEMBL29495616 0.84 GPR119 (0.53) GPR119CHEK2NPBWR1MCHR1HRH3
SCHEMBL190497 0.84 GPR119 (0.53) GPR119CHEK2NPBWR1MCHR1HRH3
SCHEMBL7455853 0.82 GPR119 (0.59) GPR119CHEK2HRH3
SCHEMBL15683845 0.81 EPHX2 (0.45)
SCHEMBL1754944 0.81 EPHX2 (0.45)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
EP-1899322-A1 ISOQUINOLINE DERIVATIVES AS INHIBITORS OF RHO-KINASE Sanofi-Aventis (FR) 2008-03-19 EP disclosed
WO-2007000240-A1 ISOQUINOLINE DERIVATIVES AS INHIBITORS OF RHO-KINASE SANOFI-AVENTIS (DE) 2007-01-04 WO 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 GPR119 2425/4885CHEK2 1689/4885NPBWR1 3871/4885
US-20090088429-A1 Isoquinoline Derivatives MYLK2, MYLK, RHOT2 GPR119 2425/4885CHEK2 1689/4885NPBWR1 3871/4885

“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.