SCHEMBL4983009

SCHEMBL4983009

C#C[C@H]1CC[C@@H](C#N)N1C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 20/20 0.55
DPP8 Q6V1X1 1/20 0.55

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
SCHEMBL4703477 0.78 DPP4 (0.60) DPP4DPP8
SCHEMBL4705887 0.78 DPP4 (0.60) DPP4DPP8
SCHEMBL646823 0.78 DPP4 (0.60) DPP4DPP8
SCHEMBL14263071 0.78 DPP4 (0.64) DPP4DPP8
SCHEMBL4983693 0.78 DPP4 (0.60) DPP4DPP8
SCHEMBL4703476 0.78 DPP4 (0.60) DPP4DPP8
SCHEMBL25320589 0.76 DPP4 (0.40) DPP4DPP8
SCHEMBL25202753 0.76 DPP4 (0.40) DPP4DPP8
SCHEMBL25305608 0.76 DPP4 (0.37) DPP4DPP8
SCHEMBL25319437 0.76 DPP4 (0.40) DPP4DPP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160152600-A1 SYNTHESIS OF (2S,5R)-5-ETHYNYL-1-PYRROLIDINE-2-CARBONITRILE ABBVIE INC (US) 2016-06-02 US disclosed
US-9260411-B2 Synthesis of (2S,5R)-5-ethynyl-1-{N-(4-methyl-1-(4-carboxy-pyridin-2-yl)piperidin-4-yl)glycyl}pyrrolidine-2-carbonitrile ABBVIE INC. (US) 2016-02-16 US disclosed
EP-2535338-A1 Synthesis of (2S,5R)-5-ethynyl-1-{N-(4-methyl-1-(4-carboxy-pyridin-2-yl)piperidin-4-yl)glycyl}pyrrolidine-2-carbonitrile Abbott Laboratories (US) 2012-12-19 EP disclosed
EP-2057145-B1 SYNTHESIS OF (2S,5R)-5-ETHYNYL-1-{N-(4-METHYL-1-(4-CARBOXY-PYRIDIN-2-YL)PIPERIDIN-4-YL)GLYCYL}PYRROLIDINE-2-CARBONITRILE ABBOTT LAB (US) 2012-08-22 EP disclosed
US-20080058528-A1 useful in the treatment of disorders mediated by DPP-IV such as, but not limited to, diabetes, type II diabetes, hyperglycemia, Syndrome X, hyperinsulinemia and obesity ABBVIE INC. 2008-03-06 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 (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-20160152600-A1 SYNTHESIS OF (2S,5R)-5-ETHYNYL-1-PYRROLIDINE-2-CARBONITRILE PNN, PARN, AZI2 DPP4 1253/4885DPP8 2673/4885
US-20080058528-A1 useful in the treatment of disorders mediated by DPP-IV such as, but not limited to, diabetes, type II diabetes, hyperglycemia, Syndrome X, hyperinsulinemia and obesity DPP4, DPP7, DPP3 DPP4 1/4885DPP8 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.