SCHEMBL2709757

SCHEMBL2709757

CC(C)(C)OC(=O)N1C[C@@H](NC(=O)c2cccnc2)C[C@H]1C(=O)N1CCCC1C#N

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ MMP2 P08253 7/20 0.51
▸ ANPEP P15144 3/20 0.51
▸ DPP4 P27487 1/20 0.49
▸ MMP9 P14780 1/20 0.43
▸ GRM5 P41594 1/20 0.41
▸ USP30 Q70CQ3 3/20 0.41

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
SCHEMBL2709754 1.00 MMP2 (0.51) MMP2ANPEPDPP4MMP9GRM5
SCHEMBL2709753 1.00 MMP2 (0.51) MMP2ANPEPDPP4MMP9GRM5
SCHEMBL2710777 0.92 DPP4 (0.50) MMP2ANPEPDPP4USP30
SCHEMBL2710780 0.92 DPP4 (0.50) MMP2ANPEPDPP4USP30
SCHEMBL2710781 0.92 DPP4 (0.50) MMP2ANPEPDPP4USP30
SCHEMBL2709540 0.91 DPP4 (0.60) MMP2DPP4USP30
SCHEMBL2709543 0.91 DPP4 (0.60) MMP2DPP4USP30
SCHEMBL2709549 0.91 DPP4 (0.60) MMP2DPP4USP30
SCHEMBL2709369 0.86 DPP4 (0.49) MMP2DPP4
SCHEMBL2710077 0.86 DPP4 (0.52) DPP4

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 11 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-1950199-B1 Proline derivatives and use thereof as drugs MITSUBISHI TANABE PHARMA CORP (JP) 2009-12-02 — — 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 MMP2 45/4885ANPEP 16/4885DPP4 1/4885
US-20050245538-A1 Proline derivatives and use thereof as drugs DPP4, DPP3, DPP7 MMP2 45/4885ANPEP 16/4885DPP4 1/4885
US-20040106655-A1 Proline derivatives and the use thereof as drugs DPP4, DPP3, DPP7 MMP2 42/4885ANPEP 19/4885DPP4 1/4885

“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.

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