SCHEMBL2711745

SCHEMBL2711745

CC(C)(C)OC(=O)N1C[C@@H](N2CCN(c3nc(-c4ccc(C#N)cc4)cs3)CC2)C[C@H]1C(=O)N1CCSC1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 11/20 0.50
DPP8 Q6V1X1 1/20 0.41
DPP9 Q86TI2 1/20 0.41
FAAH O00519 1/20 0.40
USP30 Q70CQ3 1/20 0.39
LMNA P02545 2/20 0.37
MAPT P10636 2/20 0.37
TSHR P16473 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
AR P10275 1/20 0.37
UCHL1 P09936 1/20 0.37
SPR P35270 1/20 0.37
IRAK4 Q9NWZ3 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL2712663 0.90 DPP4 (0.61) DPP4DPP8DPP9FAAHUSP30
SCHEMBL2710061 0.86 DPP4 (0.58) DPP4DPP8DPP9AR
SCHEMBL2712075 0.84 DPP4 (0.64) DPP4DPP8DPP9ARIRAK4
SCHEMBL2711530 0.83 DPP4 (0.56) DPP4DPP8DPP9LMNAMAPT
SCHEMBL2709114 0.83 DPP4 (0.60) DPP4DPP8DPP9IRAK4
SCHEMBL2711015 0.83 DPP4 (0.60) DPP4DPP8DPP9IRAK4
SCHEMBL2708027 0.80 DPP4 (0.61) DPP4DPP8DPP9IRAK4
SCHEMBL2708924 0.79 DPP4 (0.64) DPP4DPP8DPP9ARIRAK4
SCHEMBL2857185 0.79 DPP4 (0.65) DPP4DPP8DPP9AR
SCHEMBL2711781 0.79 DPP4 (0.45) DPP4DPP8DPP9ARIRAK4

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 9 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-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

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 1/4885DPP8 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

“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.