SCHEMBL6700512

SCHEMBL6700512

CN(CCN(C)c1ncccc1C#N)CC(=O)N1CCC[C@H]1C#N

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PREP P48147 11/20 0.57
DPP4 P27487 7/20 0.46
FAP Q12884 2/20 0.43
DPP8 Q6V1X1 1/20 0.43
DPP9 Q86TI2 1/20 0.43
DPP7 Q9UHL4 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
SCHEMBL6699843 0.71 HSD11B1 (0.55) PREPDPP4FAPDPP8DPP9
SCHEMBL5077374 0.70 DPP4 (0.75) PREPDPP4DPP8DPP7
SCHEMBL24447974 0.70 PREP (0.82) PREPDPP4DPP8DPP9
SCHEMBL7084540 0.69 PREP (0.50) PREPDPP4FAPDPP8DPP9
SCHEMBL6704573 0.69 DPP4 (0.55) PREPDPP4FAPDPP8DPP9
SCHEMBL6703269 0.67 DPP4 (0.56) PREPDPP4FAPDPP8DPP9
SCHEMBL6703266 0.67 DPP4 (0.56) PREPDPP4FAPDPP8DPP9
SCHEMBL1435982 0.67 PREP (0.54) PREPDPP4FAPDPP8DPP9
SCHEMBL6335495 0.67 PREP (0.48) PREPDPP4
Oxalic Acid SCHEMBL6696017 0.67 DPP4 (0.66) PREPDPP4DPP8DPP7

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 PREP 19/4885DPP4 1/4885FAP 45/4885

“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.