SCHEMBL2709899

SCHEMBL2709899

CC(C)(C)OC(=O)N1CC(=O)C[C@H]1C(=O)N1CCCC1C#N

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 8/20 0.46
OPRM1 P35372 1/20 0.44
OPRD1 P41143 1/20 0.44
DPP8 Q6V1X1 1/20 0.43
DPP9 Q86TI2 1/20 0.43
HSD17B10 Q99714 1/20 0.43
PREP P48147 1/20 0.43

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
SCHEMBL2709895 1.00 DPP4 (0.46) DPP4OPRM1OPRD1DPP8DPP9
SCHEMBL2709891 1.00 DPP4 (0.46) DPP4OPRM1OPRD1DPP8DPP9
SCHEMBL7995226 0.84 PREP (0.56) DPP4DPP8PREP
SCHEMBL7995229 0.84 PREP (0.56) DPP4DPP8PREP
SCHEMBL2896482 0.82 DPP4 (0.56) DPP4DPP8DPP9HSD17B10PREP
SCHEMBL1357066 0.82 DPP4 (0.56) DPP4DPP8DPP9HSD17B10PREP
SCHEMBL240005 0.82 DPP4 (0.56) DPP4DPP8DPP9HSD17B10PREP
SCHEMBL7989711 0.81 DPP4 (0.51) DPP4DPP8PREP
SCHEMBL7989792 0.81 DPP4 (0.51) DPP4DPP8PREP
SCHEMBL7988406 0.80 DPP4 (0.48) DPP4DPP8PREP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1930319-B1 Proline derivatives and use thereof as drugs MITSUBISHI TANABE PHARMA CORP (JP) 2012-05-02 EP disclosed
EP-1950199-B1 Proline derivatives and use thereof as drugs MITSUBISHI TANABE PHARMA CORP (JP) 2009-12-02 EP disclosed
EP-1308439-B1 PROLINE DERIVATIVES AND USE THEREOF AS DRUGS MITSUBISHI TANABE PHARMA CORP (JP) 2008-10-15 EP disclosed
EP-1950199-A1 Proline derivatives and use thereof as drugs Mitsubishi Tanabe Pharma Corporation (JP) 2008-07-30 EP disclosed
EP-1930319-A1 Proline derivatives and use thereof as drugs Mitsubishi Tanabe Pharma Corporation (JP) 2008-06-11 EP disclosed
US-20060173056-A1 Proline derivatives and use thereof as drugs KITAJIMA HIROSHI 2006-08-03 US disclosed
US-7074794-B2 Proline derivatives and the use thereof as drugs MITSUBISHI PHARMA CORPORATION (JP) 2006-07-11 US disclosed
US-7060722-B2 Proline derivatives and use thereof as drugs MITSUBISHI PHARMA CORPORATION (JP) 2006-06-13 US disclosed
US-20050245538-A1 Proline derivatives and use thereof as drugs KITAJIMA HIROSHI 2005-11-03 US disclosed
US-20040106655-A1 Proline derivatives and the use thereof as drugs MITSUBISHI TANABE PHARMA CORPORATION (JP) 2004-06-03 US disclosed
EP-1308439-A1 PROLINE DERIVATIVES AND USE THEREOF AS DRUGS WELFIDE CORPORATION (JP) 2003-05-07 EP 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 (3 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-20060173056-A1 Proline derivatives and use thereof as drugs DPP4, DPP3, DPP7 DPP4 1/4885OPRM1 1665/4885OPRD1 663/4885
US-20050245538-A1 Proline derivatives and use thereof as drugs DPP4, DPP3, DPP7 DPP4 1/4885OPRM1 1665/4885OPRD1 663/4885
US-20040106655-A1 Proline derivatives and the use thereof as drugs DPP4, DPP3, DPP7 DPP4 1/4885OPRM1 1291/4885OPRD1 831/4885

“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.