SCHEMBL5455281

SCHEMBL5455281

COC(=O)C1CCCN1C(=O)Nc1c(C)nc(CC(C)C)c(CNC(=O)OC(C)(C)C)c1-c1ccc(C)cc1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 11/20 0.57
DPP9 Q86TI2 1/20 0.46
KLK5 Q9Y337 1/20 0.39
PKM P14618 1/20 0.39
LMNA P02545 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
NPC1 O15118 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
DPP8 Q6V1X1 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPK1 P28482 1/20 0.36

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
SCHEMBL5445082 0.88 DPP4 (0.74) DPP4DPP9KLK5
SCHEMBL5445079 0.88 DPP4 (0.74) DPP4DPP9KLK5
Hydrochloric Acid SCHEMBL5447320 0.86 DPP4 (0.76) DPP4DPP9DPP8
SCHEMBL5456386 0.83 DPP4 (0.46) DPP4DPP9NPSR1NPC1L3MBTL1
SCHEMBL5456032 0.83 DPP4 (0.46) DPP4LMNANPC1L3MBTL1ALDH1A1
SCHEMBL5456427 0.83 DPP4 (0.42) DPP4DPP9DPP8
SCHEMBL5449696 0.82 DPP4 (0.48) DPP4DPP9DPP8
SCHEMBL5740676 0.81 DPP4 (0.41) DPP4DPP9NPC1DPP8ALDH1A1
SCHEMBL27643640 0.81 DPP4 (0.70) DPP4DPP9KLK5
SCHEMBL5451704 0.78 DPP4 (0.47) DPP4DPP9DPP8

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-20070037807-A1 Pyridine compounds as inhibitors of dipeptidyl peptidase IV TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-02-15 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-20070037807-A1 Pyridine compounds as inhibitors of dipeptidyl peptidase IV DPP4, DPP3, PEPD DPP4 1/4885DPP9 5/4885KLK5 2104/4885

“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.