SCHEMBL1335569

SCHEMBL1335569

Cc1cc(N2CCN([C@H]3C[C@@H](C(=O)N4CCSC4)N(C(=O)OC(C)(C)C)C3)CC2)n(-c2ccccc2)n1

nearest known ligand 0.63

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 20/20 0.63
DPP8 Q6V1X1 3/20 0.63
DPP9 Q86TI2 3/20 0.63
PTGS2 P35354 1/20 0.63
HRH1 P35367 1/20 0.63
KCNH2 Q12809 1/20 0.63

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
SCHEMBL17779410 1.00 DPP4 (0.63) DPP4DPP8DPP9PTGS2HRH1
SCHEMBL17270088 1.00 DPP4 (0.63) DPP4DPP8DPP9PTGS2HRH1
SCHEMBL15579156 0.93 DPP4 (0.62) DPP4DPP8DPP9PTGS2HRH1
SCHEMBL2855639 0.93 DPP4 (0.64) DPP4DPP8DPP9PTGS2HRH1
SCHEMBL2854108 0.93 DPP4 (0.65) DPP4DPP8DPP9PTGS2HRH1
SCHEMBL2856794 0.93 DPP4 (0.64) DPP4DPP8DPP9PTGS2HRH1
SCHEMBL2858953 0.93 DPP4 (0.64) DPP4DPP8DPP9PTGS2HRH1
SCHEMBL2849971 0.92 DPP4 (0.65) DPP4DPP8DPP9PTGS2HRH1
SCHEMBL2857185 0.91 DPP4 (0.65) DPP4DPP8DPP9PTGS2HRH1
SCHEMBL2851871 0.90 DPP4 (0.65) DPP4DPP8DPP9PTGS2HRH1

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1854795-B1 Salt of a proline derivative, solvate thereof, and production method thereof MITSUBISHI TANABE PHARMA CORP (JP) 2016-06-01 EP claimed
US-8003790-B2 Salt of proline derivative, solvate thereof, and production method thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-08-23 US claimed
US-20090216016-A1 SALT OF PROLINE DERIVATIVE, SOLVATE THEREOF, AND PRODUCTION METHOD THEREOF MITSUBISHI PHARMA CORPORATION (JP) 2009-08-27 US claimed
EP-1854795-A1 SALT OF PROLINE DERIVATIVE, SOLVATE THEREOF, AND PRODUCTION METHOD THEREOF MITSUBISHI PHARMA CORPORATION (JP) 2007-11-14 EP claimed
EP-1854795-B1 Salt of a proline derivative, solvate thereof, and production method thereof MITSUBISHI TANABE PHARMA CORP (JP) 2016-06-01 EP disclosed
WO-2015173779-A1 PROCESS FOR THE PREPARATION OF TENELIGLIPTIN AND ITS NOVEL INTERMEDIATES MICRO LABS LIMITED (IN) 2015-11-19 WO disclosed
WO-2015132679-A1 TENELIGLIPTIN COMPOSITIONS GLENMARK PHARMACEUTICALS LTD (IN) 2015-09-11 WO disclosed
US-8604198-B2 Salt of proline derivative, solvate thereof, and production method thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-12-10 US disclosed
EP-2602259-A2 Salt of proline derivative, solvate thereof, and production method thereof Mitsubishi Tanabe Pharma Corporation (JP) 2013-06-12 EP disclosed
EP-1930319-B1 Proline derivatives and use thereof as drugs MITSUBISHI TANABE PHARMA CORP (JP) 2012-05-02 EP disclosed
US-20110282058-A1 SALT OF PROLINE DERIVATIVE, SOLVATE THEREOF, AND PRODUCTION METHOD THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-11-17 US disclosed
US-8003790-B2 Salt of proline derivative, solvate thereof, and production method thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-08-23 US disclosed
EP-1930319-A1 Proline derivatives and use thereof as drugs Mitsubishi Tanabe Pharma Corporation (JP) 2008-06-11 EP disclosed
EP-1854795-A1 SALT OF PROLINE DERIVATIVE, SOLVATE THEREOF, AND PRODUCTION METHOD THEREOF MITSUBISHI PHARMA CORPORATION (JP) 2007-11-14 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 (5 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-20110282058-A1 SALT OF PROLINE DERIVATIVE, SOLVATE THEREOF, AND PRODUCTION METHOD THEREOF DPP4, DPP3, PEPD DPP4 1/4885DPP8 6/4885DPP9 8/4885
US-20060173056-A1 Proline derivatives and use thereof as drugs DPP4, DPP3, DPP7 DPP4 1/4885DPP8 6/4885DPP9 5/4885
US-20050245538-A1 Proline derivatives and use thereof as drugs DPP4, DPP3, DPP7 DPP4 1/4885DPP8 6/4885DPP9 5/4885
US-20040106655-A1 Proline derivatives and the use thereof as drugs DPP4, DPP3, DPP7 DPP4 1/4885DPP8 6/4885DPP9 4/4885
US-20090216016-A1 SALT OF PROLINE DERIVATIVE, SOLVATE THEREOF, AND PRODUCTION METHOD THEREOF DPP4, DPP3, PEPD DPP4 1/4885DPP8 6/4885DPP9 8/4885

“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.