SCHEMBL1021491

SCHEMBL1021491

N#C[C@@H]1C[C@@H](O)CN1C(=O)CNC1CC2CCC(C1)N2c1ncccn1

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 20/20 0.52
DPP8 Q6V1X1 8/20 0.52
DPP7 Q9UHL4 6/20 0.52
PREP P48147 3/20 0.52
DPP9 Q86TI2 6/20 0.44

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
Hydrochloric Acid SCHEMBL1022998 0.99 DPP4 (0.51) DPP4DPP8DPP7PREPDPP9
SCHEMBL1023086 0.84 DPP4 (0.45) DPP4DPP8DPP7PREPDPP9
SCHEMBL1023379 0.83 DPP4 (0.44) DPP4DPP8DPP7PREPDPP9
Hydrochloric Acid SCHEMBL1072916 0.82 DPP4 (0.43) DPP4DPP8DPP7PREPDPP9
SCHEMBL1070015 0.81 PREP (0.50) DPP4DPP8DPP7PREPDPP9
SCHEMBL1346883 0.74 DPP4 (0.59) DPP4DPP8DPP7PREPDPP9
Hydrochloric Acid SCHEMBL1348449 0.73 DPP4 (0.58) DPP4DPP8DPP7PREPDPP9
SCHEMBL4890308 0.68 DPP4 (1.00) DPP4DPP8DPP7PREPDPP9
SCHEMBL1019926 0.68 DPP4 (0.40) DPP4DPP8DPP7PREPDPP9
SCHEMBL5222258 0.68 DPP4 (0.73) DPP4DPP8DPP7PREPDPP9

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
US-20110118305-A1 COMPOUNDS SANOFI-AVENTIS (FR) 2011-05-19 US disclosed
EP-1517907-B1 AZABICYCLO-OCTANE AND NONANE DERIVATIVES WITH DDP-IV INHIBITING ACTIVITY SANOFI AVENTIS (FR) 2011-01-12 EP disclosed
US-7781455-B2 Compounds SANOFI-AVENTIS (FR) 2010-08-24 US disclosed
US-20050153973-A1 (4R)-3-(2-{[8-(2-Pyrimidinyl)-8-azabicyclo[3.2.1]oct-3-yl]exo-amino}acetyl)thiazolidine-4-carbonitrile; enzyme inhibitors; diabetes SANOFI-AVENTIS (FR) 2005-07-14 US disclosed
EP-1517907-A2 AZABICYCLO-OCTANE AND NONANE DERIVATIVES WITH DDP-IV INHIBITING ACTIVITY Sanofi-Aventis (FR) 2005-03-30 EP disclosed
WO-2003106456-A2 NEW COMPOUNDS SANOFI-SYNTHELABO (FR) 2003-12-24 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 (2 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-20050153973-A1 (4R)-3-(2-{[8-(2-Pyrimidinyl)-8-azabicyclo[3.2.1]oct-3-yl]exo-amino}acetyl)thiazolidine-4-carbonitrile; enzyme inhibitors; diabetes DPP4, DPP8, DPP3 DPP4 1/4885DPP8 2/4885DPP7 4/4885
US-20110118305-A1 COMPOUNDS DPP4, DPP3, DPP8 DPP4 1/4885DPP8 3/4885DPP7 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.