SCHEMBL5449335

SCHEMBL5449335

Cc1ccc(-c2c(C#N)c(CC(C)(C)C)nc(Cc3ccccc3)c2C(=O)O)cc1

nearest known ligand 0.68

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 10/20 0.68
DPP9 Q86TI2 8/20 0.68
DPP8 Q6V1X1 6/20 0.68
ALDH1A1 P00352 2/20 0.40
HTT P42858 1/20 0.40
HSD17B10 Q99714 1/20 0.40
PDE9A O76083 1/20 0.39
PDE1C Q14123 1/20 0.39
POLB P06746 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
ADORA1 P30542 2/20 0.38
GRIA2 P42262 1/20 0.38
GRIA4 P48058 1/20 0.38
ADORA2A P29274 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
ADORA2B P29275 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL5462497 0.89 DPP4 (0.55) DPP4DPP9DPP8ALDH1A1HTT
SCHEMBL5449329 0.87 DPP4 (0.66) DPP4DPP9DPP8ALDH1A1POLB
SCHEMBL5446358 0.85 DPP4 (0.52) DPP4DPP9DPP8ALDH1A1HTT
SCHEMBL5456075 0.85 DPP4 (0.67) DPP4DPP9DPP8ALDH1A1HTT
SCHEMBL4106185 0.85 DPP4 (0.65) DPP4DPP9DPP8ALDH1A1HTT
SCHEMBL5455902 0.84 DPP4 (0.68) DPP4DPP9DPP8ALDH1A1GRIA2
SCHEMBL5452670 0.82 DPP4 (0.98) DPP4DPP9DPP8
Hydrochloric Acid SCHEMBL5452531 0.81 DPP4 (1.00) DPP4DPP9DPP8
SCHEMBL5447427 0.81 DPP4 (0.67) DPP4DPP9DPP8ALDH1A1HTT
SCHEMBL5449188 0.80 DPP4 (0.46) DPP4DPP9DPP8ALDH1A1HTT

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.