SCHEMBL3549170

SCHEMBL3549170

COc1cc(OC)cc(C(=O)N2CCN(C(=O)CCNCC(=O)N3CCC[C@H]3C#N)CC2)c1

nearest known ligand 0.76

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 19/20 0.76
DPP8 Q6V1X1 11/20 0.76
PREP P48147 1/20 0.55
DPP7 Q9UHL4 5/20 0.54

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
SCHEMBL3549173 1.00 DPP4 (0.76) DPP4DPP8PREPDPP7
SCHEMBL3554466 0.87 DPP4 (1.00) DPP4DPP8DPP7
SCHEMBL3554462 0.87 DPP4 (1.00) DPP4DPP8DPP7
SCHEMBL3546196 0.84 DPP4 (0.75) DPP4DPP8PREPDPP7
SCHEMBL3546193 0.84 DPP4 (0.75) DPP4DPP8PREPDPP7
SCHEMBL8277349 0.79 DPP4 (0.65) DPP4DPP8DPP7
SCHEMBL13444775 0.79 DPP4 (0.65) DPP4DPP8DPP7
SCHEMBL3552300 0.79 DPP4 (0.70) DPP4DPP8PREPDPP7
SCHEMBL13444779 0.79 DPP4 (0.70) DPP4DPP8PREPDPP7
SCHEMBL27886262 0.75 DPP4 (0.97) DPP4DPP8PREP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7687504-B2 1-[3-[2-[2-cyano-(S)-pyrrolidin-1-yl]-2-oxo-ethylamino]-1-oxo-propyl]-4-[bis-(4-fluorophenyl)methyl]piperazine; inhibiting dipeptidyl peptidase IV or for treating Type II diabetes NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2010-03-30 US claimed
EP-1729774-A4 PYRROLIDINE COMPOUNDS NAT HEALTH RESEARCH INSTITUTES (TW) 2009-05-06 EP claimed
EP-1729774-A1 PYRROLIDINE COMPOUNDS National Health Research Institutes (TW) 2006-12-13 EP claimed
US-20050222222-A1 Pyrrolidine compounds NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2005-10-06 US claimed
WO-2005087235-A1 PYRROLIDINE COMPOUNDS NATIONAL HEALTH RESEARCH INSTITUTES (CN) 2005-09-22 WO claimed
US-7687504-B2 1-[3-[2-[2-cyano-(S)-pyrrolidin-1-yl]-2-oxo-ethylamino]-1-oxo-propyl]-4-[bis-(4-fluorophenyl)methyl]piperazine; inhibiting dipeptidyl peptidase IV or for treating Type II diabetes NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2010-03-30 US disclosed
US-7687504-B2 1-[3-[2-[2-cyano-(S)-pyrrolidin-1-yl]-2-oxo-ethylamino]-1-oxo-propyl]-4-[bis-(4-fluorophenyl)methyl]piperazine; inhibiting dipeptidyl peptidase IV or for treating Type II diabetes NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2010-03-30 US disclosed
EP-1729774-A4 PYRROLIDINE COMPOUNDS NAT HEALTH RESEARCH INSTITUTES (TW) 2009-05-06 EP disclosed
EP-1729774-A1 PYRROLIDINE COMPOUNDS National Health Research Institutes (TW) 2006-12-13 EP disclosed
US-20050222222-A1 Pyrrolidine compounds NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2005-10-06 US disclosed
WO-2005087235-A1 PYRROLIDINE COMPOUNDS NATIONAL HEALTH RESEARCH INSTITUTES (CN) 2005-09-22 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-20050222222-A1 Pyrrolidine compounds DPP4, DPP9, DPP7 DPP4 1/4885DPP8 4/4885PREP 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.