SCHEMBL4603345

SCHEMBL4603345

Cc1nc(-c2cccnc2)cn1CCC(C)(C)NCC(=O)N1CCCC1C#N

nearest known ligand 0.53

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 20/20 0.53
DPP7 Q9UHL4 2/20 0.51
DPP8 Q6V1X1 3/20 0.49
DPP9 Q86TI2 3/20 0.49

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
SCHEMBL666318 1.00 DPP4 (0.53) DPP4DPP7DPP8DPP9
SCHEMBL666210 0.86 DPP4 (0.53) DPP4DPP7DPP8DPP9
SCHEMBL2553750 0.85 DPP4 (0.54) DPP4DPP7DPP8DPP9
SCHEMBL29918628 0.85 DPP4 (0.54) DPP4DPP7DPP8DPP9
SCHEMBL4603612 0.85 DPP4 (0.55) DPP4DPP7DPP8DPP9
SCHEMBL195631 0.85 DPP4 (0.54) DPP4DPP7DPP8DPP9
SCHEMBL666762 0.85 DPP4 (0.55) DPP4DPP7DPP8DPP9
SCHEMBL666277 0.84 DPP4 (0.54) DPP4DPP7DPP8DPP9
SCHEMBL4605387 0.83 DPP4 (0.56) DPP4DPP7DPP8DPP9
SCHEMBL663961 0.83 DPP4 (0.56) DPP4DPP7DPP8DPP9

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
EP-1917001-A2 PHARMACEUTICAL COMPOSITION COMPRISING A DPP-IV INHIBITOR F.HOFFMANN-LA ROCHE AG (CH) 2008-05-07 EP disclosed
WO-2007017423-A2 PHARMACEUTICAL COMPOSITION COMPRISING A DPP-IV INHIBITOR F. HOFFMANN-LA ROCHE AG (CH) 2007-02-15 WO disclosed
US-20030130281-A1 DPP IV inhibitors HOFFMAN-LA ROCHE INC. 2003-07-10 US 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-20030130281-A1 DPP IV inhibitors DPP4, DPP3, DPP7 DPP4 1/4885DPP7 3/4885DPP8 6/4885

“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.