SCHEMBL6172706

SCHEMBL6172706

N#C[C@@H]1C=CCN1C(=O)C(N)CCCCNCc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DPP7 Q9UHL4 14/20 0.57
DPP8 Q6V1X1 9/20 0.57
DPP9 Q86TI2 5/20 0.57
DPP4 P27487 10/20 0.56
FAP Q12884 1/20 0.41
FOLH1 Q04609 1/20 0.39
HDAC3 O15379 2/20 0.38
HDAC1 Q13547 2/20 0.38
HDAC2 Q92769 2/20 0.38
HDAC8 Q9BY41 2/20 0.38
NCOR2 Q9Y618 2/20 0.38
MAOA P21397 1/20 0.37

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
SCHEMBL6172701 1.00 DPP7 (0.57) DPP7DPP8DPP9DPP4FAP
SCHEMBL6491309 0.83 DPP4 (0.52) DPP7DPP8DPP9DPP4FAP
SCHEMBL7425586 0.83 DPP4 (0.52) DPP7DPP8DPP9DPP4FAP
SCHEMBL6167577 0.83 DPP4 (0.52) DPP7DPP8DPP9DPP4FAP
SCHEMBL6492407 0.82 DPP7 (0.57) DPP7DPP8DPP9DPP4FAP
SCHEMBL6492404 0.82 DPP7 (0.57) DPP7DPP8DPP9DPP4FAP
SCHEMBL7191378 0.81 DPP4 (0.60) DPP7DPP8DPP9DPP4FAP
SCHEMBL7419137 0.81 DPP4 (0.60) DPP7DPP8DPP9DPP4FAP
SCHEMBL7185307 0.81 DPP4 (0.60) DPP7DPP8DPP9DPP4FAP
SCHEMBL6175043 0.78 DPP7 (0.56) DPP7DPP8DPP9DPP4FAP

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 9 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-2003057144-A2 CHANGE INHIBITORS OF DIPEPTIDYL PEPTIDASE IV GUILFORD PHARMACEUTICALS (US) 2003-07-17 WO disclosed
WO-2003057666-A2 INHIBITORS OF DIPEPTIDYL PEPTIDASE IV GUILFORD PHARMACEUTICALS (US) 2003-07-17 WO 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

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 2/4885DPP8 5/4885DPP9 3/4885
US-20020103384-A1 Therapeutically active and selective heterocyclic compounds that are inhibitors of the enzyme DPP-IV DPP4, DPP7, DPP9 DPP7 2/4885DPP8 5/4885DPP9 3/4885
US-20050070719-A1 Inhibitors of dipeptidyl peptidase iv DPP4, DPP3, DPP7 DPP7 3/4885DPP8 5/4885DPP9 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.