SCHEMBL12596372

SCHEMBL12596372

CC(C)(C)OC(=O)N1CCC(n2ccc3c(Nc4ccc(S(C)(=O)=O)cc4F)ncnc32)CC1

nearest known ligand 0.78

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.78
CYP2C9 P11712 1/20 0.78
GPR119 Q8TDV5 19/20 0.72

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
SCHEMBL12596422 0.89 GPR119 (0.66) CYP3A4CYP2C9GPR119
SCHEMBL12596429 0.89 CYP2C9 (0.62) CYP3A4CYP2C9GPR119
SCHEMBL12395281 0.88 GPR119 (0.69) CYP3A4CYP2C9GPR119
SCHEMBL12596790 0.88 CYP2C9 (0.61) CYP3A4CYP2C9GPR119
SCHEMBL1128962 0.88 CYP3A4 (1.00) CYP3A4CYP2C9GPR119
SCHEMBL10151293 0.88 GPR119 (0.77) CYP3A4CYP2C9GPR119
SCHEMBL12596517 0.87 GPR119 (0.66) CYP3A4CYP2C9GPR119
SCHEMBL13548263 0.86 GPR119 (0.69) CYP3A4CYP2C9GPR119
SCHEMBL10137683 0.84 GPR119 (1.00) CYP3A4CYP2C9GPR119
SCHEMBL12596378 0.83 CYP2C9 (0.55) CYP3A4CYP2C9GPR119

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110118286-A1 BICYCLIC HETEROCYCLE DERIVATIVES AND THEIR USE AS GPCR MODULATORS SCHERING CORPORATION 2011-05-19 US disclosed
US-20110118286-A1 BICYCLIC HETEROCYCLE DERIVATIVES AND THEIR USE AS GPCR MODULATORS SCHERING CORPORATION 2011-05-19 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-20110118286-A1 BICYCLIC HETEROCYCLE DERIVATIVES AND THEIR USE AS GPCR MODULATORS GPR119, GCGR, GPR35 CYP3A4 1059/4885CYP2C9 709/4885GPR119 1/4885

“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.