SCHEMBL6704573

SCHEMBL6704573

N#Cc1cccnc1NCCOCC(=O)N1CCC[C@H]1C#N

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 12/20 0.55
PREP P48147 7/20 0.47
DPP7 Q9UHL4 3/20 0.46
DPP8 Q6V1X1 2/20 0.46
CYP2D6 P10635 1/20 0.45
DPP9 Q86TI2 1/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
FAP Q12884 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
SCHEMBL5077374 0.85 DPP4 (0.75) DPP4PREPDPP7DPP8
SCHEMBL6703266 0.82 DPP4 (0.56) DPP4PREPDPP7DPP8CYP2D6
SCHEMBL6703269 0.82 DPP4 (0.56) DPP4PREPDPP7DPP8CYP2D6
SCHEMBL6700347 0.81 DPP4 (0.52) DPP4PREPDPP7DPP8CYP2D6
SCHEMBL6700341 0.81 DPP4 (0.52) DPP4PREPDPP7DPP8CYP2D6
SCHEMBL5141299 0.79 DPP4 (0.59) DPP4DPP7DPP8DPP9FAP
SCHEMBL5141298 0.79 DPP4 (0.59) DPP4DPP7DPP8DPP9FAP
Oxalic Acid SCHEMBL6696017 0.79 DPP4 (0.66) DPP4PREPDPP7DPP8
SCHEMBL6702155 0.73 DPP4 (0.75) DPP4PREPDPP7DPP8
SCHEMBL6595949 0.71 DPP4 (1.00) DPP4DPP7DPP8

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040180925-A1 Dipeptidylpeptidase-IV inhibitor KYOWA HAKKO KOGYO CO., LTD. (JP) 2004-09-16 US disclosed
EP-1354882-A1 DIPEPTIDYL PEPTIDASE IV INHIBITOR KYOWA HAKKO KOGYO CO., LTD. (JP) 2003-10-22 EP 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-20040180925-A1 Dipeptidylpeptidase-IV inhibitor DPP4, DPP3, DPP9 DPP4 1/4885PREP 19/4885DPP7 4/4885

“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.