SCHEMBL1154736

SCHEMBL1154736

N#C[C@@H]1C[C@H](F)CN1C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 19/20 0.56
FAP Q12884 3/20 0.51
DPP8 Q6V1X1 2/20 0.51
DPP9 Q86TI2 2/20 0.51
DPP7 Q9UHL4 1/20 0.51
PREP P48147 1/20 0.49

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
SCHEMBL3874305 1.00 DPP4 (0.56) DPP4FAPDPP8DPP9DPP7
SCHEMBL3397659 1.00 DPP4 (0.56) DPP4FAPDPP8DPP9DPP7
SCHEMBL3793419 0.83 DPP4 (0.57) DPP4FAPDPP8DPP9DPP7
SCHEMBL3784078 0.83 DPP4 (0.57) DPP4FAPDPP8DPP9DPP7
SCHEMBL3783677 0.83 DPP4 (0.57) DPP4FAPDPP8DPP9DPP7
SCHEMBL12861005 0.83 DPP4 (0.55) DPP4FAPDPP8DPP9DPP7
SCHEMBL16501402 0.83 DPP4 (0.57) DPP4FAPDPP8DPP9DPP7
SCHEMBL3782633 0.83 DPP4 (0.57) DPP4FAPDPP8DPP9DPP7
Hydrochloric Acid SCHEMBL27634730 0.81 DPP4 (0.56) DPP4FAPDPP8DPP9DPP7
SCHEMBL25187601 0.81 DPP4 (0.39) DPP4FAPDPP8DPP9DPP7

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-7893103-B2 Dipeptidyl peptidase IV (DPP-IV); industrial scale process of making antidiabetics such as (2S,4S)-1-{2-[(3SR,1RS)-3-(1H-1,2,4-Triazol-1-ylmethyl)cyclopentylamino]acetyl}-4-fluoro-pyrrolidine-2-carbonitrile starting from ethyl glyoxalate and 3-(1H-1,2,4-triazol-1-ylmethyl)cyclopententylamine for example GLENMARK PHARMACEUTICALS, S.A. (CH) 2011-02-22 US disclosed
EP-2035395-A2 NOVEL PROCESSES FOR THE PREPARATION OF DPP IV INHIBITORS Glenmark Pharmaceuticals S.A. (CH) 2009-03-18 EP disclosed
US-20080076818-A1 NOVEL PROCESSES FOR THE PREPARATION OF DPP IV INHIBITORS GLENMARK PHARMACEUTICALS S.A. (CH) 2008-03-27 US disclosed
WO-2008001195-A2 NOVEL PROCESSES FOR THE PREPARATION OF DPP IV INHIBITORS GLENMARK PHARMACEUTICALS S.A. (US) 2008-01-03 WO disclosed
US-7183290-B2 Fluoropyrrolidines as dipeptidyl peptidase inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2007-02-27 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 (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-20080076818-A1 NOVEL PROCESSES FOR THE PREPARATION OF DPP IV INHIBITORS DPP4, DPP7, DPP3 DPP4 1/4885FAP 103/4885DPP8 5/4885

“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.