SCHEMBL5483095

SCHEMBL5483095

C#C[C@H]1CCCN1C(=O)CNC(C)(C)C

nearest known ligand 0.74

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 20/20 0.74
DPP8 Q6V1X1 2/20 0.74
DPP9 Q86TI2 2/20 0.74

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
SCHEMBL6255154 0.85 DPP4 (1.00) DPP4DPP8DPP9
SCHEMBL23563035 0.78 DPP4 (0.49) DPP4DPP8DPP9
SCHEMBL5479978 0.78 DPP4 (0.74) DPP4DPP8DPP9
SCHEMBL24297255 0.77 DPP4 (0.62) DPP4DPP8DPP9
SCHEMBL6167534 0.76 DPP4 (0.83) DPP4DPP8DPP9
SCHEMBL14478379 0.74 PREP (0.44) DPP4DPP8DPP9
SCHEMBL18902439 0.74 DPP4 (0.53) DPP4DPP8DPP9
SCHEMBL5070864 0.74 DPP4 (0.80) DPP4DPP8DPP9
SCHEMBL1382238 0.72 DPP4 (1.00) DPP4DPP8DPP9
SCHEMBL648012 0.72 DPP4 (1.00) DPP4DPP8DPP9

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-20070238753-A1 Pharmaceutical Compositions as Inhibitors of Dipeptidyl Peptidase-IV (DPP-IV) MADAR DAVID J 2007-10-11 US disclosed
US-7238724-B2 Antidiabetic agents; hyperlipemic agents; obestity; immunomoderator; atherosclerosis ABBOTT LABORATORIES (US) 2007-07-03 US disclosed
US-20050215784-A1 Pharmaceutical compositions as inhibitors of dipeptidyl peptidase-IV (DPP-IV) ABBVIE INC. 2005-09-29 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-20050215784-A1 Pharmaceutical compositions as inhibitors of dipeptidyl peptidase-IV (DPP-IV) DPP4, DPP3, DPP7 DPP4 1/4885DPP8 5/4885DPP9 4/4885
US-20070238753-A1 Pharmaceutical Compositions as Inhibitors of Dipeptidyl Peptidase-IV (DPP-IV) DPP4, DPP3, DPP7 DPP4 1/4885DPP8 5/4885DPP9 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.