SCHEMBL4594027

SCHEMBL4594027

COc1cccc(-c2ccc(NCCNCC(=O)N3CCCC3C#N)nc2)c1

nearest known ligand 0.64

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 16/20 0.64
DPP7 Q9UHL4 2/20 0.64
DPP8 Q6V1X1 1/20 0.64
PREP P48147 2/20 0.58

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
SCHEMBL665335 1.00 DPP4 (0.64) DPP4DPP7DPP8PREP
SCHEMBL5658833 0.91 DPP4 (0.69) DPP4DPP7DPP8PREP
SCHEMBL663681 0.91 DPP4 (0.69) DPP4DPP7DPP8PREP
SCHEMBL664898 0.88 DPP4 (0.67) DPP4DPP7DPP8PREP
SCHEMBL5659759 0.88 DPP4 (0.67) DPP4DPP7DPP8PREP
SCHEMBL1436023 0.87 DPP4 (0.75) DPP4DPP7DPP8
SCHEMBL665455 0.87 DPP4 (0.75) DPP4DPP7DPP8
SCHEMBL6828187 0.87 PREP (0.51) DPP4DPP7DPP8PREP
SCHEMBL666219 0.87 DPP4 (0.74) DPP4DPP7DPP8
SCHEMBL4594039 0.87 DPP4 (0.74) DPP4DPP7DPP8

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070259925-A1 DPP IV INHIBITORS BOEHRINGER MARKUS 2007-11-08 US claimed
EP-1917001-A2 PHARMACEUTICAL COMPOSITION COMPRISING A DPP-IV INHIBITOR F.HOFFMANN-LA ROCHE AG (CH) 2008-05-07 EP disclosed
US-20070259925-A1 DPP IV INHIBITORS BOEHRINGER MARKUS 2007-11-08 US disclosed
WO-2007017423-A2 PHARMACEUTICAL COMPOSITION COMPRISING A DPP-IV INHIBITOR F. HOFFMANN-LA ROCHE AG (CH) 2007-02-15 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-20070259925-A1 DPP IV INHIBITORS DPP4, DPP3, DPP7 DPP4 1/4885DPP7 3/4885DPP8 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.