SCHEMBL5447333

SCHEMBL5447333

COC(=O)c1c(C)nc(CC(C)C)c(CN)c1-c1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 19/20 0.67
DPP8 Q6V1X1 2/20 0.67
DPP9 Q86TI2 1/20 0.65
SMN1; SMN2 Q16637 1/20 0.53

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
SCHEMBL4119243 0.91 DPP4 (0.77) DPP4DPP8DPP9
SCHEMBL5441565 0.90 DPP4 (0.62) DPP4DPP8DPP9
SCHEMBL5451877 0.89 DPP4 (0.64) DPP4DPP8DPP9
Hydrochloric Acid SCHEMBL5451739 0.87 DPP4 (0.84) DPP4DPP8DPP9
SCHEMBL5455106 0.86 DPP4 (0.76) DPP4DPP8DPP9
Hydrochloric Acid SCHEMBL5454960 0.85 DPP4 (0.77) DPP4DPP8DPP9
SCHEMBL5451101 0.84 DPP4 (0.53) DPP4DPP8DPP9
SCHEMBL4111954 0.83 DPP4 (0.68) DPP4DPP8DPP9
SCHEMBL5445034 0.82 DPP4 (0.59) DPP4DPP8DPP9
SCHEMBL5449837 0.82 DPP4 (0.84) 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-20070037807-A1 Pyridine compounds as inhibitors of dipeptidyl peptidase IV TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-02-15 US disclosed
EP-1678138-A1 PYRIDINE COMPOUNDS AS INHIBITORS OF DIPEPTIDYL PEPTIDASE IV Takeda Pharmaceutical Company Limited (JP) 2006-07-12 EP disclosed
WO-2005042488-A1 PYRIDINE COMPOUNDS AS INHIBITORS OF DIPEPTIDYL PEPTIDASE IV TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-05-12 WO 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 1/4885DPP8 8/4885DPP9 5/4885

“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.