SCHEMBL4911481

SCHEMBL4911481

CC(C)(C)OC(=O)N[C@@H](CCCCNCC=Cc1ccccc1)C(=O)N1CCC[C@H]1C#N

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PREP P48147 2/20 0.47
DPP4 P27487 13/20 0.46
DPP8 Q6V1X1 8/20 0.46
DPP7 Q9UHL4 4/20 0.46
DPP9 Q86TI2 3/20 0.46
ITGB3 P05106 2/20 0.43
ITGA2B P08514 2/20 0.43
F2 P00734 1/20 0.42
PRSS1 P07477 1/20 0.42
ACE P12821 1/20 0.41
FAP Q12884 1/20 0.40

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
SCHEMBL4914371 0.87 PREP (0.46) PREPDPP4DPP8DPP7DPP9
SCHEMBL8359911 0.82 DPP4 (0.62) DPP4DPP8DPP7DPP9FAP
Hydrochloric Acid SCHEMBL4910106 0.81 DPP4 (0.61) DPP4DPP8DPP7DPP9FAP
SCHEMBL8360502 0.79 DPP4 (0.59) DPP4DPP8DPP7DPP9FAP
SCHEMBL13034909 0.79 ITGB3 (0.47) PREPDPP4DPP8DPP7DPP9
SCHEMBL4905274 0.78 DPP4 (0.59) PREPDPP4DPP8DPP7DPP9
Hydrochloric Acid SCHEMBL4906566 0.78 DPP4 (0.54) DPP4DPP8DPP7DPP9ACE
SCHEMBL4905360 0.77 DPP4 (0.53) PREPDPP4DPP8DPP7DPP9
SCHEMBL4906172 0.77 DPP4 (0.55) PREPDPP4DPP8DPP7DPP9
SCHEMBL6111437 0.76 PREP (0.48) PREPDPP4DPP8DPP9ITGB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080255126-A1 Inhibitors of post-proline cleaving proteases FERRING B.V. 2008-10-16 US disclosed
US-7335677-B2 Inhibitors of dipeptidyl peptidase IV FERRING B.V. (NL) 2008-02-26 US disclosed
US-20050043299-A1 Inhibitors of dipeptidyl peptidase iv FERRING B. V. 2005-02-24 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 (2 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-20050043299-A1 Inhibitors of dipeptidyl peptidase iv DPP4, DPP9, DPP3 PREP 7/4885DPP4 1/4885DPP8 9/4885
US-20080255126-A1 Inhibitors of post-proline cleaving proteases PREP, PEPD, DPP4 PREP 1/4885DPP4 3/4885DPP8 16/4885

“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.