SCHEMBL12596511

SCHEMBL12596511

CC(C)OC(=O)N1CCC(n2ccc3c(Oc4ccc(OC(F)(F)F)cc4F)ncnc32)CC1

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ GPR119 Q8TDV5 17/20 0.48
▸ CYP2C9 P11712 2/20 0.48
▸ KCNH2 Q12809 1/20 0.41
▸ PIK3CD O00329 1/20 0.39
▸ SOS1 Q07889 1/20 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
SCHEMBL12596359 0.77 GPR119 (0.65) GPR119
SCHEMBL1128256 0.77 CYP3A4 (0.52) GPR119CYP2C9KCNH2PIK3CD
SCHEMBL14927795 0.75 GPR119 (0.51) GPR119CYP2C9KCNH2
SCHEMBL12596752 0.75 GPR119 (0.57) GPR119CYP2C9KCNH2
SCHEMBL514777 0.74 GPR119 (0.43) GPR119CYP2C9KCNH2
SCHEMBL390152 0.73 GPR119 (0.74) GPR119CYP2C9KCNH2
SCHEMBL14930835 0.72 GPR119 (0.65) GPR119CYP2C9KCNH2
SCHEMBL1128363 0.71 GPR119 (0.66) GPR119CYP2C9KCNH2
SCHEMBL1128654 0.71 CYP3A4 (0.51) GPR119CYP2C9KCNH2
SCHEMBL12596500 0.70 GPR119 (0.47) GPR119

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 GPR119 1/4885CYP2C9 709/4885KCNH2 2035/4885

“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.

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