SCHEMBL2712759

SCHEMBL2712759

CC(C)(C)OC(=O)N1C[C@@H](N2CCC(c3cc4ccccc4s3)CC2)C[C@H]1C(=O)N1CCSC1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 5/20 0.40
PREP P48147 8/20 0.40
MMP13 P45452 1/20 0.38
SLC6A4 P31645 3/20 0.37
DRD2 P14416 1/20 0.37
ACKR3 P25106 1/20 0.37
SLC6A3 Q01959 2/20 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
SCHEMBL2711724 0.86 DPP4 (0.47) DPP4PREP
SCHEMBL2708613 0.86 DPP4 (0.44) DPP4
SCHEMBL2712126 0.86 DPP4 (0.55) DPP4PREP
SCHEMBL2708143 0.85 DPP4 (0.41) DPP4PREP
SCHEMBL2711676 0.81 DPP4 (0.46) DPP4PREP
SCHEMBL2708268 0.81 PREP (0.43) DPP4PREP
SCHEMBL2708514 0.81 PREP (0.40) DPP4PREPSLC6A4DRD2
SCHEMBL2708946 0.81 PREP (0.43) DPP4PREP
SCHEMBL2709957 0.81 DPP4 (0.48) DPP4PREP
SCHEMBL2709858 0.81 DPP4 (0.40) DPP4PREP

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 1/4885PREP 7/4885MMP13 366/4885
US-20050245538-A1 Proline derivatives and use thereof as drugs DPP4, DPP3, DPP7 DPP4 1/4885PREP 7/4885MMP13 366/4885
US-20040106655-A1 Proline derivatives and the use thereof as drugs DPP4, DPP3, DPP7 DPP4 1/4885PREP 8/4885MMP13 335/4885

“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.