SCHEMBL1063121

SCHEMBL1063121

CC(=Cc1cnn(C2CCN(C(=O)OC(C)C)CC2)c1C#N)c1ccc(S(C)(=O)=O)cc1F

nearest known ligand 0.55

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 19/20 0.55
CYP2C9 P11712 3/20 0.44
KCNH2 Q12809 1/20 0.44
CYP3A4 P08684 1/20 0.43

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
SCHEMBL1063119 1.00 GPR119 (0.55) GPR119CYP2C9KCNH2CYP3A4
SCHEMBL1060722 0.89 CYP3A4 (0.41) GPR119CYP2C9CYP3A4
SCHEMBL1060719 0.89 CYP3A4 (0.41) GPR119CYP2C9CYP3A4
SCHEMBL12961780 0.85 GPR119 (0.67) GPR119CYP2C9KCNH2CYP3A4
SCHEMBL1060873 0.82 GPR119 (0.58) GPR119CYP2C9KCNH2CYP3A4
SCHEMBL1060691 0.81 GPR119 (0.58) GPR119CYP2C9KCNH2CYP3A4
SCHEMBL1053663 0.80 GPR119 (0.56) GPR119CYP2C9KCNH2
SCHEMBL1061381 0.80 GPR119 (0.56) GPR119CYP2C9KCNH2CYP3A4
SCHEMBL1060759 0.79 GPR119 (0.68) GPR119CYP2C9KCNH2CYP3A4
SCHEMBL1061052 0.79 GPR119 (0.62) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2438051-A1 L- ( PIPERIDIN-4-YL) -PYRAZOLE DERIVATIVES AS GPR 119 MODULATORS Pfizer Inc. (US) 2012-04-11 EP disclosed
US-20110020460-A1 GPR 119 MODULATORS PFIZER INC. 2011-01-27 US disclosed
WO-2010140092-A1 L- ( PIPERIDIN-4-YL) -PYRAZOLE DERIVATIVES AS GPR 119 MODULATORS PFIZER INC. (US) 2010-12-09 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 (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-20110020460-A1 GPR 119 MODULATORS GPR119, GPR65, GPR88 GPR119 1/4885CYP2C9 1510/4885KCNH2 2454/4885

“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.