SCHEMBL4112955

SCHEMBL4112955

CCc1nc(CC(C)C)c(CN)c(-c2ccc(C)cc2)c1CC(=O)O

nearest known ligand 0.78

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 20/20 0.78
DPP9 Q86TI2 4/20 0.72
DPP8 Q6V1X1 3/20 0.64

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
SCHEMBL4127147 0.95 DPP4 (0.84) DPP4DPP9DPP8
Hydrochloric Acid SCHEMBL4113979 0.94 DPP4 (0.87) DPP4DPP9DPP8
Hydrochloric Acid SCHEMBL5449842 0.87 DPP4 (1.00) DPP4DPP9DPP8
Hydrochloric Acid SCHEMBL5445802 0.84 DPP4 (0.79) DPP4DPP9DPP8
SCHEMBL4112626 0.84 DPP4 (1.00) DPP4DPP9DPP8
Water SCHEMBL29516207 0.83 DPP4 (1.00) DPP4DPP9DPP8
Hydrochloric Acid SCHEMBL4112752 0.83 DPP4 (0.98) DPP4DPP9DPP8
SCHEMBL5239332 0.83 DPP4 (0.58) DPP4DPP9DPP8
SCHEMBL5447918 0.82 DPP4 (0.62) DPP4DPP9DPP8
SCHEMBL5451985 0.81 DPP4 (0.84) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090088419-A1 PYRIDYL ACETIC ACID COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-04-02 US claimed
EP-1851202-A1 PYRIDYL ACETIC ACID COMPOUNDS Takeda Pharmaceutical Company Limited (JP) 2007-11-07 EP claimed
WO-2006090915-A1 PYRIDYL ACETIC ACID COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-08-31 WO claimed
US-20090088419-A1 PYRIDYL ACETIC ACID COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-04-02 US disclosed
EP-1851202-A1 PYRIDYL ACETIC ACID COMPOUNDS Takeda Pharmaceutical Company Limited (JP) 2007-11-07 EP disclosed
WO-2006090915-A1 PYRIDYL ACETIC ACID COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-08-31 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-20090088419-A1 PYRIDYL ACETIC ACID COMPOUNDS DPP4, GPR119, DPP3 DPP4 1/4885DPP9 11/4885DPP8 7/4885

“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.