SCHEMBL4145594

SCHEMBL4145594

NC(=CC(=O)N1CCCNC(=O)C1CC(F)(F)F)Cc1cc(F)c(F)cc1F

nearest known ligand 0.65

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 19/20 0.65
DPP8 Q6V1X1 12/20 0.65
DPP7 Q9UHL4 10/20 0.65
KCNH2 Q12809 1/20 0.42

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
SCHEMBL4145585 1.00 DPP4 (0.65) DPP4DPP8DPP7KCNH2
SCHEMBL4152645 0.83 DPP4 (0.68) DPP4DPP8DPP7KCNH2
SCHEMBL8248194 0.79 DPP4 (0.68) DPP4DPP8DPP7KCNH2
SCHEMBL21067975 0.78 DPP4 (1.00) DPP4DPP8DPP7KCNH2
SCHEMBL388929 0.78 DPP4 (1.00) DPP4DPP8DPP7KCNH2
Hydrochloric Acid SCHEMBL4160735 0.78 DPP4 (0.98) DPP4DPP8DPP7KCNH2
SCHEMBL8264882 0.74 DPP4 (0.75) DPP4DPP8DPP7KCNH2
SCHEMBL8251667 0.71 DPP4 (0.58) DPP4DPP8DPP7
SCHEMBL8245496 0.70 DPP4 (0.68) DPP4DPP8DPP7KCNH2
SCHEMBL8245497 0.70 DPP4 (0.68) DPP4DPP8DPP7KCNH2

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-20090124601-A1 Tartaric Acid Salts of a Dipeptidyl Peptidase-IV Inhibitor MERCK & CO., INC. 2009-05-14 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-20090124601-A1 Tartaric Acid Salts of a Dipeptidyl Peptidase-IV Inhibitor DPP4, DPP3, DPP7 DPP4 1/4885DPP8 5/4885DPP7 3/4885

“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.