SCHEMBL3548960

SCHEMBL3548960

CC(C)(C)OC(=O)NC(CC(=O)OCc1ccccc1)C(=O)N1CCCC1C#N

nearest known ligand 0.67

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PREP P48147 4/20 0.67
DPP4 P27487 9/20 0.53
DPP8 Q6V1X1 7/20 0.53
DPP9 Q86TI2 2/20 0.53
DPP7 Q9UHL4 2/20 0.53
KLK7 P49862 1/20 0.51
KLK5 Q9Y337 1/20 0.51
ACE P12821 1/20 0.51
CMA1 P23946 1/20 0.48
CTSL P07711 1/20 0.48
CACNA1B Q00975 2/20 0.47

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
SCHEMBL13444798 1.00 PREP (0.67) PREPDPP4DPP8DPP9DPP7
SCHEMBL13034908 0.91 PREP (0.65) PREPDPP4DPP8DPP9DPP7
SCHEMBL5352644 0.89 PREP (0.62) PREPDPP4DPP8DPP9DPP7
SCHEMBL6691971 0.87 PREP (0.61) PREPDPP4DPP8DPP9DPP7
SCHEMBL6691973 0.87 PREP (0.61) PREPDPP4DPP8DPP9DPP7
SCHEMBL7533944 0.86 ACE (0.65) KLK7KLK5ACECMA1CTSL
SCHEMBL29131320 0.86 ACE (0.65) KLK7KLK5ACECMA1CTSL
SCHEMBL29131321 0.86 ACE (0.65) KLK7KLK5ACECMA1CTSL
SCHEMBL13463794 0.83 DPP4 (0.50) PREPDPP4DPP8DPP9
SCHEMBL13444797 0.83 DPP4 (0.50) PREPDPP4DPP8DPP9

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-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 PREP 7/4885DPP4 1/4885DPP8 4/4885

“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.