SCHEMBL5449290

SCHEMBL5449290

CCc1nc(CC(C)(C)C)c(C#N)c(-c2ccc(C)cc2)c1C(=O)OC(C)(C)C

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 9/20 0.51
DPP9 Q86TI2 8/20 0.51
DPP8 Q6V1X1 6/20 0.51
ALDH1A1 P00352 7/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
GRIA2 P42262 1/20 0.38
GRIA4 P48058 1/20 0.38
KDM4E B2RXH2 4/20 0.36
HPGD P15428 3/20 0.36
KMT2A Q03164 2/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 2/20 0.35
MEN1 O00255 1/20 0.35
HTT P42858 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
POLB P06746 1/20 0.34

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
SCHEMBL5449955 0.92 DPP4 (0.52) DPP4DPP9DPP8ALDH1A1L3MBTL1
SCHEMBL4119343 0.91 DPP4 (0.52) DPP4DPP9DPP8ALDH1A1L3MBTL1
SCHEMBL4114038 0.89 DPP4 (0.49) DPP4DPP9DPP8ALDH1A1L3MBTL1
SCHEMBL5449078 0.89 DPP4 (0.53) DPP4DPP9DPP8ALDH1A1KDM4E
SCHEMBL5462497 0.87 DPP4 (0.55) DPP4DPP9DPP8ALDH1A1L3MBTL1
SCHEMBL5449329 0.87 DPP4 (0.66) DPP4DPP9DPP8ALDH1A1L3MBTL1
SCHEMBL5447653 0.86 ALDH1A1 (0.48) DPP4DPP9DPP8ALDH1A1L3MBTL1
SCHEMBL5449080 0.86 DPP4 (0.52) DPP4DPP9DPP8ALDH1A1L3MBTL1
SCHEMBL5457773 0.85 KMT2A (0.43) ALDH1A1L3MBTL1GRIA2GRIA4KDM4E
SCHEMBL5447722 0.82 DPP4 (0.75) 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 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 1/4885DPP9 5/4885DPP8 8/4885

“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.