SCHEMBL3554780

SCHEMBL3554780

N#C[C@@H]1CCCN1C(=O)C(N)CC(=O)NCc1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 19/20 1.00
DPP8 Q6V1X1 15/20 1.00
DPP7 Q9UHL4 6/20 0.71
DPP9 Q86TI2 3/20 0.71
FAP Q12884 1/20 0.62
PREP P48147 1/20 0.60

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
SCHEMBL14392573 1.00 DPP4 (1.00) DPP4DPP8DPP7DPP9FAP
SCHEMBL3554784 1.00 DPP4 (1.00) DPP4DPP8DPP7DPP9FAP
SCHEMBL4412142 0.88 DPP4 (0.78) DPP4DPP8DPP7DPP9FAP
SCHEMBL4419185 0.84 DPP4 (0.73) DPP4DPP8DPP7DPP9FAP
SCHEMBL6453066 0.83 DPP4 (1.00) DPP4DPP8DPP7DPP9FAP
SCHEMBL14392585 0.83 DPP4 (0.78) DPP4DPP8DPP7DPP9FAP
SCHEMBL13444773 0.83 DPP4 (0.84) DPP4DPP8DPP7DPP9FAP
SCHEMBL13463796 0.83 DPP4 (0.84) DPP4DPP8DPP7DPP9FAP
SCHEMBL14392722 0.82 DPP4 (1.00) DPP4DPP8DPP7DPP9FAP
SCHEMBL8275517 0.81 DPP4 (0.71) DPP4DPP8DPP7DPP9FAP

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 4/4885DPP7 3/4885

“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.