SCHEMBL12354534

SCHEMBL12354534

NC(=O)[C@@H]1CCCN1C(=O)CNC12CC3CC(CC(O)(C3)C1)C2

nearest known ligand 0.69

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 17/20 0.69
DPP8 Q6V1X1 3/20 0.67
FAP Q12884 3/20 0.67
DPP9 Q86TI2 1/20 0.67
DPP7 Q9UHL4 4/20 0.63
PREP P48147 1/20 0.46

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
SCHEMBL15855961 1.00 DPP4 (0.69) DPP4DPP8FAPDPP9DPP7
SCHEMBL15030434 0.87 DPP4 (0.53) DPP4DPP8FAPDPP9DPP7
SCHEMBL17048286 0.86 DPP4 (0.69) DPP4DPP8FAPDPP9DPP7
SCHEMBL17048339 0.86 DPP4 (0.69) DPP4DPP8FAPDPP9DPP7
SCHEMBL17048338 0.86 DPP4 (0.69) DPP4DPP8FAPDPP9DPP7
SCHEMBL7795161 0.83 DPP4 (0.71) DPP4DPP8FAPDPP9DPP7
SCHEMBL15024754 0.81 DPP4 (0.69) DPP4DPP8FAPDPP9DPP7
SCHEMBL3189715 0.81 DPP4 (1.00) DPP4DPP8FAPDPP9DPP7
Vildagliptin SCHEMBL665400 0.81 DPP4 (1.00) DPP4DPP8FAPDPP9PREP
Vildagliptin SCHEMBL16579 0.81 DPP4 (1.00) DPP4DPP8FAPDPP9PREP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2788323-B1 NEW PROCESS AND INTERMEDIATES FOR THE SYNTHESIS OF VILDAGLIPTIN CHEMELECTIVA SRL (IT) 2017-01-11 EP disclosed
EP-2788323-B1 NEW PROCESS AND INTERMEDIATES FOR THE SYNTHESIS OF VILDAGLIPTIN CHEMELECTIVA SRL (IT) 2017-01-11 EP disclosed
WO-2015128718-A1 NOVEL ECONOMIC PROCESS FOR VILDAGLIPTIN HIKAL LIMITED (IN) 2015-09-03 WO disclosed
US-8877799-B2 Inorganic salt complexes of vildagliptin Egis Gyogyszergynar Nyilvanosan Muekoedoe Reszvenytarsasag (HU) 2014-11-04 US disclosed
EP-2788323-A1 NEW PROCESS AND INTERMEDIATES FOR THE SYNTHESIS OF VILDAGLIPTIN Chemelectiva Srl. (IT) 2014-10-15 EP disclosed
WO-2013083326-A1 NEW PROCESS AND INTERMEDIATES FOR THE SYNTHESIS OF VILDAGLIPTIN CHEMELECTIVA S.R.L. (IT) 2013-06-13 WO disclosed
US-20130005790-A1 INORGANIC SALT COMPLEXES OF VILDAGLIPTIN EGIS GYOGYSZERGYAR NYILVANOSAN MUEKOEDOE RESZVENYTARSASAG (HU) 2013-01-03 US disclosed
WO-2011101861-A1 PROCESS FOR PREPARATION OF DPP-IV INHIBITORS MSN LABORATORIES LIMITED (IN) 2011-08-25 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-20130005790-A1 INORGANIC SALT COMPLEXES OF VILDAGLIPTIN SLC5A2, SLC5A1, DPP4 DPP4 3/4885DPP8 8/4885FAP 201/4885

“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.