SCHEMBL257752

SCHEMBL257752

C[C@H](CCOc1ccc(N2C[C@H](N)[C@@H](N3CCCCC3=O)C2)nc1)C1CCNCC1

nearest known ligand 0.44

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 11/20 0.44
DPP8 Q6V1X1 2/20 0.44
ACACB O00763 7/20 0.34
GPR119 Q8TDV5 2/20 0.34

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
SCHEMBL179098 0.87 DPP4 (0.42) DPP4DPP8ACACB
SCHEMBL121491 0.83 GPR119 (0.41) DPP4DPP8GPR119
SCHEMBL149427 0.80 DPP4 (0.43) DPP4DPP8GPR119
SCHEMBL121107 0.80 DPP4 (0.43) DPP4DPP8GPR119
SCHEMBL149426 0.80 DPP4 (0.43) DPP4DPP8GPR119
SCHEMBL13186516 0.78 ACACB (0.42) ACACBGPR119
SCHEMBL121270 0.78 DPP4 (0.42) DPP4DPP8GPR119
SCHEMBL150246 0.77 GPR119 (0.41) DPP4DPP8GPR119
SCHEMBL122219 0.75 DPP4 (0.41) DPP4DPP8GPR119
SCHEMBL462023 0.73 GPR119 (0.46) DPP4DPP8GPR119

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 1048/4885ACACB 239/4885

“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.