SCHEMBL10171813

SCHEMBL10171813

CC(C)OC(=O)N1CCC(n2cc(F)c3c(Nc4ccc(S(C)(=O)=O)cc4F)ncnc32)CC1

nearest known ligand 0.66

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 19/20 0.66
CYP2C9 P11712 4/20 0.60
CYP3A4 P08684 1/20 0.60
KCNH2 Q12809 1/20 0.52

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 0.88 GPR119 (0.66) GPR119CYP2C9CYP3A4KCNH2
SCHEMBL10137743 0.88 GPR119 (0.66) GPR119CYP2C9CYP3A4KCNH2
SCHEMBL10171944 0.87 GPR119 (0.49) GPR119CYP2C9CYP3A4KCNH2
Hydrochloric Acid SCHEMBL368931 0.87 GPR119 (0.49) GPR119CYP2C9CYP3A4KCNH2
SCHEMBL12596549 0.86 GPR119 (0.66) GPR119CYP2C9CYP3A4KCNH2
SCHEMBL10172627 0.86 GPR119 (0.54) GPR119CYP2C9CYP3A4
SCHEMBL303668 0.86 CYP2C9 (0.80) GPR119CYP2C9CYP3A4KCNH2
SCHEMBL355058 0.86 GPR119 (0.48) GPR119CYP2C9CYP3A4
SCHEMBL356719 0.85 GPR119 (0.48) GPR119CYP2C9CYP3A4
SCHEMBL10171971 0.84 GPR119 (0.47) GPR119CYP2C9CYP3A4

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-20120016119-A1 NOVEL PYRROLO(2,3-d)PYRIMIDINE COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-01-19 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-20120016119-A1 NOVEL PYRROLO(2,3-d)PYRIMIDINE COMPOUND GPR119, GPR139, HCAR1 GPR119 1/4885CYP2C9 1147/4885CYP3A4 2136/4885

“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.