SCHEMBL6171746

SCHEMBL6171746

CC(C)(C)OC(=O)NCCCCC(N)C(=O)N1CC=CC1C#N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP7 Q9UHL4 6/20 0.44
DPP4 P27487 5/20 0.44
DPP8 Q6V1X1 5/20 0.44
DPP9 Q86TI2 2/20 0.44
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
GAA P10253 1/20 0.39
NRP1 O14786 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
FPR3 P25089 2/20 0.35
FPR2 P25090 2/20 0.35
CA1 P00915 4/20 0.34
CA2 P00918 4/20 0.34
CA12 O43570 3/20 0.34

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
SCHEMBL7422812 0.81 DPP4 (0.35) DPP7DPP4DPP8DPP9
SCHEMBL6175048 0.78 DPP7 (0.56) DPP7DPP4DPP8DPP9
SCHEMBL7257356 0.78 DPP7 (0.56) DPP7DPP4DPP8DPP9
SCHEMBL6172701 0.74 DPP7 (0.57) DPP7DPP4DPP8DPP9MAOA
SCHEMBL7189181 0.73 DPP4 (0.40) DPP7DPP4DPP8DPP9
SCHEMBL6174604 0.73 DPP4 (0.40) DPP7DPP4DPP8DPP9
SCHEMBL6174600 0.73 DPP4 (0.40) DPP7DPP4DPP8DPP9
SCHEMBL7186525 0.72 DPP7 (0.37) DPP7DPP4DPP8DPP9GAA
SCHEMBL6488699 0.72 DPP7 (0.37) DPP7DPP4DPP8DPP9GAA
SCHEMBL7290477 0.72 DPP4 (0.48) DPP7DPP4DPP8DPP9MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1465891-A4 INHIBITORS OF DIPEPTIDYL PEPTIDASE IV GUILFORD PHARM INC (US) 2005-08-17 EP disclosed
US-20050070719-A1 Inhibitors of dipeptidyl peptidase iv GUILFORD PHARMACEUTICALS 2005-03-31 US disclosed
EP-1465891-A2 INHIBITORS OF DIPEPTIDYL PEPTIDASE IV GUILFORD PHARMACEUTICALS INC. (US) 2004-10-13 EP disclosed
US-6645995-B2 Dipeptidyl peptidase-IV (DPP-IV); treating type II diabetes in a human; amino acid amides of 2-cyanopyrrolidine NOVO NORDISK A/S (DK) 2003-11-11 US disclosed
WO-2003057666-A2 INHIBITORS OF DIPEPTIDYL PEPTIDASE IV GUILFORD PHARMACEUTICALS (US) 2003-07-17 WO disclosed
EP-1254113-A1 N-SUBSTITUTED 2-CYANOPYROLES AND -PYRROLINES WHICH ARE INHIBITORS OF THE ENZYME DPP-IV NOVO NORDISK A/S (DK) 2002-11-06 EP disclosed
US-20020103384-A1 Therapeutically active and selective heterocyclic compounds that are inhibitors of the enzyme DPP-IV KANSTRUP ANDERS (DK) 2002-08-01 US disclosed
US-6380398-B2 COMPOUNDS SUCH AS (S,S)1-(2-AMINO-3,3-DIMETHYL-BUTYRYL)-2,5-DIHYDRO-1H-PYRROLE-2 -CARBONITRILE ADMINISTERED AS ANTIDIABETIC AGENTS; DIPEPTIDYL PEPTIDASE-IV (DPP-IV) NOVO NORDISK A/S (DK) 2002-04-30 US disclosed
US-20010031780-A1 New therapeutically active and selective heterocyclic compounds that are inhibitors of the enzyme DPP-IV NOVO NORDISK A/S (DK) 2001-10-18 US disclosed
WO-2001055105-A1 N-SUBSTITUTED 2-CYANOPYROLES AND -PYRROLINES WHICH ARE INHIBITORS OF THE ENZYME DPP-IV NOVO NORDISK A/S (DK) 2001-08-02 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 (3 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-20010031780-A1 New therapeutically active and selective heterocyclic compounds that are inhibitors of the enzyme DPP-IV DPP4, DPP7, DPP9 DPP7 2/4885DPP4 1/4885DPP8 5/4885
US-20020103384-A1 Therapeutically active and selective heterocyclic compounds that are inhibitors of the enzyme DPP-IV DPP4, DPP7, DPP9 DPP7 2/4885DPP4 1/4885DPP8 5/4885
US-20050070719-A1 Inhibitors of dipeptidyl peptidase iv DPP4, DPP3, DPP7 DPP7 3/4885DPP4 1/4885DPP8 5/4885

“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.