SCHEMBL14000464

SCHEMBL14000464

COOSc1ccc(Nc2ncnc3c2ccc(=O)n3C2CCN(C(=O)OC(C)C)CC2)c(F)c1

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ GPR119 Q8TDV5 19/20 0.46
▸ CYP2C9 P11712 5/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ KCNH2 Q12809 2/20 0.38

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
SCHEMBL11913127 0.87 GPR119 (0.51) GPR119CYP2C9CYP3A4KCNH2
SCHEMBL10151300 0.87 CYP2C9 (0.58) GPR119CYP2C9CYP3A4KCNH2
SCHEMBL1449874 0.84 GPR119 (0.64) GPR119CYP2C9CYP3A4KCNH2
SCHEMBL12744513 0.81 GPR119 (0.46) GPR119CYP2C9KCNH2
SCHEMBL11913138 0.78 GPR119 (0.63) GPR119CYP2C9KCNH2
SCHEMBL10151299 0.74 CYP3A4 (0.55) GPR119CYP2C9CYP3A4
SCHEMBL10137752 0.73 CYP2C9 (0.63) GPR119CYP2C9CYP3A4KCNH2
SCHEMBL12596422 0.72 GPR119 (0.66) GPR119CYP2C9CYP3A4KCNH2
SCHEMBL12596504 0.72 GPR119 (0.54) GPR119CYP2C9CYP3A4
SCHEMBL14927795 0.71 GPR119 (0.51) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080293690-A1 [6,6] AND [6,7]-BICYCLIC GPR119 G PROTEIN-COUPLED RECEPTOR AGONISTS BRISTOL-MYERS SQUIBB COMPANY 2008-11-27 — — 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-20080293690-A1 [6,6] AND [6,7]-BICYCLIC GPR119 G PROTEIN-COUPLED RECEPTOR AGONISTS GPR119, GPR6, GPR139 GPR119 1/4885CYP2C9 730/4885CYP3A4 1080/4885

“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.

Send feedback