SCHEMBL2709714

SCHEMBL2709714

CC(C)(C)OC(=O)N1C[C@@H](N2CCN(c3ccnc4cc(C(F)(F)F)ccc34)CC2)C[C@H]1C(=O)N1CCSC1

nearest known ligand 0.66

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 9/20 0.66
DPP8 Q6V1X1 1/20 0.43
DPP9 Q86TI2 1/20 0.43
PDGFRB P09619 1/20 0.42
CYP8B1 Q9UNU6 2/20 0.41
ADRB2 P07550 1/20 0.41
NCF1 P14598 1/20 0.41
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
DRD2 P14416 1/20 0.38
DRD3 P35462 1/20 0.38
IDE P14735 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
EIF2AK4 Q9P2K8 1/20 0.37
PREP P48147 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
SCHEMBL2707103 0.90 DPP4 (0.64) DPP4MAPTIDEMEN1KMT2A
SCHEMBL2709036 0.88 DPP4 (0.62) DPP4DPP8DPP9PDGFRBPREP
SCHEMBL2708669 0.85 DPP4 (0.47) DPP4DPP8DPP9MAPTNPSR1
SCHEMBL2711657 0.85 DPP4 (0.54) DPP4DPP8DPP9ADRB2MAPT
SCHEMBL2710558 0.85 DPP4 (0.61) DPP4DPP8DPP9KDM4EMAPT
SCHEMBL2709616 0.84 DPP4 (0.59) DPP4DPP8DPP9PREP
SCHEMBL2709994 0.83 DPP4 (0.46) DPP4DPP8DPP9MAPT
SCHEMBL2709305 0.83 DPP4 (0.47) DPP4MEN1KMT2A
SCHEMBL2709325 0.82 DPP4 (0.65) DPP4DPP8DPP9ADRB2MAPT
SCHEMBL2708833 0.82 DPP4 (0.65) DPP4DPP8DPP9ADRB2MAPT

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 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.