SCHEMBL2711201

SCHEMBL2711201

CC(C)(C)OC(=O)N1C[C@@H](N2CCC(Nc3ccc(C(F)(F)F)cc3)CC2)C[C@H]1C(=O)N1CCSC1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
DPP4 P27487 8/20 0.42
MAPT P10636 2/20 0.42
NPC1 O15118 1/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42
RAB9A P51151 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
PREP P48147 1/20 0.40
TGFBR1 P36897 1/20 0.37
CCR5 P51681 1/20 0.37
MLNR O43193 1/20 0.36
NR3C1 P04150 1/20 0.36
RHOC P08134 1/20 0.35
RHOA P61586 1/20 0.35
GPR119 Q8TDV5 1/20 0.35
EPHX2 P34913 1/20 0.35

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
SCHEMBL2709867 0.90 DPP4 (0.49) ALDH1A1DPP4MAPTNPC1MAPK1
SCHEMBL2709957 0.90 DPP4 (0.48) ALDH1A1DPP4MAPTNPC1MAPK1
SCHEMBL2709334 0.87 DPP4 (0.52) ALDH1A1DPP4MAPTNPC1MAPK1
SCHEMBL2709616 0.86 DPP4 (0.59) DPP4PREPGPR119
SCHEMBL2710558 0.82 DPP4 (0.61) ALDH1A1DPP4MAPT
SCHEMBL2854679 0.81 DPP4 (0.43) ALDH1A1DPP4HTTPREP
SCHEMBL6749795 0.80 DPP4 (0.53) DPP4GPR119
SCHEMBL2709218 0.80 DPP4 (0.53) DPP4GPR119
SCHEMBL2710642 0.80 PREP (0.50) DPP4PREP
SCHEMBL2849722 0.80 USP2 (0.51) ALDH1A1DPP4MAPTMAPK1HTT

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 10 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
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 ALDH1A1 229/4885DPP4 1/4885MAPT 3343/4885
US-20050245538-A1 Proline derivatives and use thereof as drugs DPP4, DPP3, DPP7 ALDH1A1 229/4885DPP4 1/4885MAPT 3343/4885
US-20040106655-A1 Proline derivatives and the use thereof as drugs DPP4, DPP3, DPP7 ALDH1A1 118/4885DPP4 1/4885MAPT 3585/4885

“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.