SCHEMBL4456750

SCHEMBL4456750

CC(C)(C)[C@H](N)C(=O)N1CCCC1C#N

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 16/20 1.00
DPP8 Q6V1X1 6/20 1.00
DPP9 Q86TI2 4/20 1.00
DPP7 Q9UHL4 5/20 0.61
FAP Q12884 1/20 0.58

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
SCHEMBL369343 1.00 DPP4 (1.00) DPP4DPP8DPP9DPP7FAP
SCHEMBL5612545 1.00 DPP4 (1.00) DPP4DPP8DPP9DPP7FAP
Hydrochloric Acid SCHEMBL3602584 0.98 DPP4 (0.97) DPP4DPP8DPP9DPP7FAP
Hydrochloric Acid SCHEMBL5013082 0.98 DPP4 (0.97) DPP4DPP8DPP9DPP7FAP
SCHEMBL23082607 0.88 DPP4 (0.79) DPP4DPP8DPP9DPP7
SCHEMBL13525327 0.86 DPP4 (0.75) DPP4DPP8DPP9DPP7
Hydrochloric Acid SCHEMBL18281110 0.85 DPP4 (0.73) DPP4DPP8DPP9DPP7
Hydrochloric Acid SCHEMBL5068240 0.85 DPP4 (0.73) DPP4DPP8DPP9DPP7
SCHEMBL8290707 0.83 DPP4 (0.71) DPP4DPP8DPP9DPP7
SCHEMBL15636202 0.83 DPP4 (1.00) DPP4DPP8DPP9DPP7FAP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1292300-A1 COMBINATIONS OD DIPEPTIDYL PEPTIDASE IV INHIBITORS AND OTHER ANTIDIABETIC AGENTS FOR THE TREATMENT FO DIABETE MELLITUS SMITHKLINE BEECHAM PLC (GB) 2003-03-19 EP claimed
WO-2001097808-A1 COMBINATIONS OF DEPEPTIDYL PEPTIDASE IV INHIBITORS AND OTHER ANTIDIABETIC AGENTS FOR THE TREATMENT OF DIABETE MELLITUS SMITHKLINE BEECHAM PLC (GB) 2001-12-27 WO claimed
US-8759295-B2 Peptide-peptidase inhibitor conjugates and methods of using same AMYLIN PHARMACEUTICALS, LLC (US) 2014-06-24 US disclosed
US-20120149639-A1 USE OF A DPP-IV INHIBITOR TO REDUCE HYPOGLYCEMIC EVENTS BALKAN BOERK (US) 2012-06-14 US disclosed
EP-2079469-A2 USE OF DIPEPTIDYL PEPTIDASE IV INHIBITORS FOR PREVENTING, DELAYING OR REDUCING THE OCCURANCE OF EDEMA Novartis AG (CH) 2009-07-22 EP disclosed
EP-1948149-A2 FORMULATION COMPRISING METFORMIN AND VILDAGLIPTIN Novartis Pharma AG (CH) 2008-07-30 EP disclosed
WO-2008057337-A2 USE OF DIPEPTIDYL PEPTIDASE IV INHIBITORS FOR PREVENTING, DELAYING OR REDUCING THE OCCURANCE OF EDEMA NOVARTIS AG (CH) 2008-05-15 WO disclosed
EP-1841413-A2 DIRECT COMPRESSION FORMULATION AND PROCESS Novartis AG (CH) 2007-10-10 EP disclosed
EP-1786401-A1 FAST RELEASE COMPOSITION INCLUDING MELT GRANULES OF A MOISTURE SENSITIVE DRUG AND PROCESS FOR MANUFACTURING THEREOF Novartis AG (CH) 2007-05-23 EP disclosed
WO-2007041053-A2 FORMULATION COMPRISING METFORMIN AND VILDAGLI PTIN NOVARTIS AG (CH) 2007-04-12 WO disclosed
WO-2006078593-A2 DIRECT COMPRESSION FORMULATION AND PROCESS NOVARTIS AG (CH) 2006-07-27 WO disclosed
WO-2006021455-A1 FAST RELEASE COMPOSITION INCLUDING MELT GRANULES OF A MOISTURE SENSITIVE DRUG AND PROCESS FOR MANUFACTURING THEREOF NOVARTIS AG (CH) 2006-03-02 WO disclosed
WO-2005117861-A1 USE OF ORGANIC COMPOUNDS NOVARTIS AG (CH) 2005-12-15 WO disclosed
EP-1292300-A1 COMBINATIONS OD DIPEPTIDYL PEPTIDASE IV INHIBITORS AND OTHER ANTIDIABETIC AGENTS FOR THE TREATMENT FO DIABETE MELLITUS SMITHKLINE BEECHAM PLC (GB) 2003-03-19 EP disclosed
WO-2001097808-A1 COMBINATIONS OF DEPEPTIDYL PEPTIDASE IV INHIBITORS AND OTHER ANTIDIABETIC AGENTS FOR THE TREATMENT OF DIABETE MELLITUS SMITHKLINE BEECHAM PLC (GB) 2001-12-27 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-20120149639-A1 USE OF A DPP-IV INHIBITOR TO REDUCE HYPOGLYCEMIC EVENTS DPP4, DPP3, DPP7 DPP4 1/4885DPP8 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.