SCHEMBL12236465

SCHEMBL12236465

COc1c(OC2CCNCC2)ncnc1OC1CCN(C(=O)OC(C)C)CC1

nearest known ligand 0.56

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 20/20 0.56
CYP2C9 P11712 2/20 0.56
KCNH2 Q12809 1/20 0.56

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
SCHEMBL12236446 0.89 GPR119 (0.67) GPR119CYP2C9
SCHEMBL13058678 0.87 GPR119 (0.63) GPR119CYP2C9KCNH2
SCHEMBL12236406 0.86 GPR119 (0.64) GPR119CYP2C9KCNH2
SCHEMBL12236466 0.86 GPR119 (0.55) GPR119CYP2C9KCNH2
SCHEMBL288503 0.86 GPR119 (0.57) GPR119CYP2C9KCNH2
SCHEMBL12261635 0.86 GPR119 (0.57) GPR119CYP2C9KCNH2
SCHEMBL20375400 0.85 GPR119 (0.41) GPR119CYP2C9KCNH2
SCHEMBL12236455 0.85 GPR119 (0.62) GPR119CYP2C9
SCHEMBL14476219 0.83 GPR119 (0.55) GPR119CYP2C9KCNH2
SCHEMBL20375463 0.82 GPR119 (0.71) GPR119CYP2C9KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8722882-B2 Pyrimidine derivatives as GPCR modulators for use in the treatment of obesity and diabetes MERCK SHARP & DOHME CORP. (US) 2014-05-13 US disclosed
US-8722882-B2 Pyrimidine derivatives as GPCR modulators for use in the treatment of obesity and diabetes MERCK SHARP & DOHME CORP. (US) 2014-05-13 US disclosed
US-20110263570-A1 PYRIMIDINE DERIVATIVES AS GPCR MODULATORS FOR USE IN THE TREATMENT OF OBESITY AND DIABETES SCHERING CORPORATION (US) 2011-10-27 US disclosed
US-20110263570-A1 PYRIMIDINE DERIVATIVES AS GPCR MODULATORS FOR USE IN THE TREATMENT OF OBESITY AND DIABETES SCHERING CORPORATION (US) 2011-10-27 US 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-20110263570-A1 PYRIMIDINE DERIVATIVES AS GPCR MODULATORS FOR USE IN THE TREATMENT OF OBESITY AND DIABETES GPR119, GCGR, GPR65 GPR119 1/4885CYP2C9 1648/4885KCNH2 2957/4885

“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.