SCHEMBL145107

SCHEMBL145107

CCc1noc(N2CCC(C(C)CCOc3cnc(N4C[C@H](NC(=O)OC(C)(C)C)[C@@H](c5cc(F)c(F)cc5F)C4)nc3)CC2)n1

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 3/20 0.32
DPP8 Q6V1X1 3/20 0.32
DPP7 Q9UHL4 3/20 0.32
DPP9 Q86TI2 2/20 0.32
KCNH2 Q12809 3/20 0.31
CYP2D6 P10635 1/20 0.31
NR1H2 P55055 1/20 0.31
RET P07949 5/20 0.31
GPR119 Q8TDV5 3/20 0.30
EIF2AK4 Q9P2K8 1/20 0.30
ACACB O00763 1/20 0.30

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
SCHEMBL145106 1.00 DPP4 (0.32) DPP4DPP8DPP7DPP9KCNH2
SCHEMBL149140 0.92 GPR119 (0.38) DPP4DPP8DPP7DPP9KCNH2
SCHEMBL149141 0.92 GPR119 (0.38) DPP4DPP8DPP7DPP9KCNH2
SCHEMBL149138 0.85 GPR119 (0.38) KCNH2RETGPR119
SCHEMBL149136 0.85 GPR119 (0.38) KCNH2RETGPR119
SCHEMBL149964 0.85 GPR119 (0.38) KCNH2NR1H2RETGPR119
SCHEMBL149137 0.85 GPR119 (0.38) KCNH2RETGPR119
SCHEMBL149962 0.85 GPR119 (0.38) KCNH2NR1H2RETGPR119
SCHEMBL149963 0.85 GPR119 (0.38) KCNH2NR1H2RETGPR119
SCHEMBL152374 0.85 GPR119 (0.39) DPP4GPR119

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-20120059014-A1 Compounds for the Treatment of Metabolic Disorders PROSIDION LIMITED (GB) 2012-03-08 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-20120059014-A1 Compounds for the Treatment of Metabolic Disorders GPR119, FFAR2, GPBAR1 DPP4 407/4885DPP8 1048/4885DPP7 482/4885

“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.