SCHEMBL14701453

SCHEMBL14701453

CC(Cc1cccc(C(F)(F)F)n1)C1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 13/20 0.52
IDH1 O75874 2/20 0.51
IDH2 P48735 1/20 0.51
HRH3 Q9Y5N1 1/20 0.46
DPP4 P27487 1/20 0.45
TGFBR1 P36897 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
SCHEMBL14701454 0.81 IDH1 (0.52) GPR119IDH1IDH2HRH3TGFBR1
SCHEMBL21607890 0.80 IDH1 (0.49) GPR119IDH1IDH2TGFBR1
SCHEMBL3025368 0.80 IDH1 (0.51) GPR119IDH1IDH2HRH3DPP4
SCHEMBL3036171 0.79 IDH1 (0.50) GPR119IDH1IDH2HRH3TGFBR1
SCHEMBL14701443 0.78 GPR119 (0.58) GPR119DPP4TGFBR1
SCHEMBL26081091 0.76 IDH1 (0.51) IDH1IDH2HRH3TGFBR1
SCHEMBL26081092 0.76 IDH1 (0.49) IDH1IDH2HRH3TGFBR1
SCHEMBL15391254 0.75 GPR119 (0.53) GPR119IDH1IDH2HRH3
SCHEMBL27158820 0.75 IDH1 (0.52) GPR119IDH1IDH2TGFBR1
SCHEMBL2145808 0.75 IDO1 (0.48) GPR119DPP4

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-20130040932-A1 SUBSTITUTED ARYL SULFONE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS NEUROMED PHARMACEUTICALS LTD. (CA) 2013-02-14 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-20130040932-A1 SUBSTITUTED ARYL SULFONE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS TRPV1, TRPA1, CACNA1D GPR119 136/4885IDH1 2032/4885IDH2 1865/4885

“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.