SCHEMBL5449481

SCHEMBL5449481

CCCc1nc(C)c(C(=O)OC)c(-c2ccc(C)cc2)c1C#N

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 3/20 0.49
ALDH1A1 P00352 9/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
HPGD P15428 5/20 0.43
GAA P10253 4/20 0.43
MAPT P10636 5/20 0.42
POLB P06746 2/20 0.42
KMT2A Q03164 2/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
ABCG2 Q9UNQ0 1/20 0.41
KDM4E B2RXH2 5/20 0.41
HTT P42858 1/20 0.40
MEN1 O00255 1/20 0.39
LMNA P02545 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
DPP8 Q6V1X1 1/20 0.39
DPP9 Q86TI2 1/20 0.39

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
SCHEMBL5442554 0.93 DPP4 (0.51) DPP4ALDH1A1L3MBTL1HPGDGAA
SCHEMBL5441464 0.85 DPP4 (0.50) DPP4ALDH1A1L3MBTL1HPGDGAA
SCHEMBL4112691 0.85 DPP4 (0.51) DPP4ALDH1A1L3MBTL1DPP8DPP9
SCHEMBL5442533 0.84 DPP4 (0.41) DPP4ALDH1A1L3MBTL1HPGDGAA
SCHEMBL5447394 0.81 DPP4 (0.75) DPP4DPP8DPP9
Hydrochloric Acid SCHEMBL5458358 0.80 DPP4 (0.77) DPP4DPP8DPP9
SCHEMBL4113999 0.77 DPP4 (0.44) DPP4ALDH1A1HPGDGAAPOLB
SCHEMBL5449059 0.77 GCGR (0.47) DPP4ALDH1A1L3MBTL1HPGDGAA
SCHEMBL4118962 0.77 ALDH1A1 (0.43) DPP4ALDH1A1L3MBTL1HPGDGAA
SCHEMBL4119343 0.77 DPP4 (0.52) DPP4ALDH1A1L3MBTL1HPGDGAA

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 1/4885ALDH1A1 743/4885L3MBTL1 473/4885

“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.