SCHEMBL6594019

SCHEMBL6594019

N#C[C@@H]1CCCN1C(=O)CNCCNc1ccc([N+](=O)[O-])cn1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 18/20 1.00
DPP7 Q9UHL4 3/20 1.00
DPP8 Q6V1X1 2/20 0.73

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
SCHEMBL6702249 0.88 DPP4 (0.78) DPP4DPP7DPP8
SCHEMBL6702254 0.88 DPP4 (0.78) DPP4DPP7DPP8
SCHEMBL29416829 0.84 DPP4 (1.00) DPP4DPP7DPP8
SCHEMBL160102 0.84 DPP4 (1.00) DPP4DPP7DPP8
SCHEMBL220478 0.84 DPP4 (1.00) DPP4DPP7DPP8
SCHEMBL6584388 0.84 DPP4 (1.00) DPP4DPP7DPP8
SCHEMBL5360154 0.84 DPP4 (0.73) DPP4DPP7DPP8
SCHEMBL5360157 0.84 DPP4 (0.73) DPP4DPP7DPP8
Hydrochloric Acid SCHEMBL6597475 0.83 DPP4 (0.98) DPP4DPP7DPP8
Hydrochloric Acid SCHEMBL356225 0.83 DPP4 (0.98) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1228061-A4 DIPEPTIDYL PEPTIDASE IV INHIBITORS AND METHODS OF MAKING AND USING DIPEPTIDYL PEPTIDASE IV INHIBITORS GUILFORD PHARM INC (US) 2004-12-15 EP disclosed
US-20040152745-A1 Dipeptidyl peptidase IV inhibitors and methods of making and using dipeptidyl peptidase IV inhibitors GUILFORD PHARMACEUTICALS, INC. 2004-08-05 US disclosed
EP-1228061-A1 DIPEPTIDYL PEPTIDASE IV INHIBITORS AND METHODS OF MAKING AND USING DIPEPTIDYL PEPTIDASE IV INHIBITORS GUILFORD PHARMACEUTICALS INC. (US) 2002-08-07 EP disclosed
WO-2001034594-A1 DIPEPTIDYL PEPTIDASE IV INHIBITORS AND METHODS OF MAKING AND USING DIPEPTIDYL PEPTIDASE IV INHIBITORS GUILFORD PHARMACEUTICALS, INC. (US) 2001-05-17 WO disclosed
US-6124305-A TREATING NON-INSULIN DEPENDENT DIABETES MELLITUS NOVARTIS AG (CH) 2000-09-26 US disclosed
US-6011155-A N-(substituted glycyl)-2-cyanopyrrolidines, pharmaceutical compositions containing them and their use in inhibiting dipeptidyl peptidase-IV NOVARTIS AG (CH) 2000-01-04 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-20040152745-A1 Dipeptidyl peptidase IV inhibitors and methods of making and using dipeptidyl peptidase IV inhibitors DPP3, DPP4, DNPEP DPP4 2/4885DPP7 4/4885DPP8 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.