SCHEMBL2711530

SCHEMBL2711530

CC(C)(C)OC(=O)N1C[C@@H](N2CCN(c3nc4ccc(C#N)cc4s3)CC2)C[C@H]1C(=O)N1CCSC1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 11/20 0.56
DPP8 Q6V1X1 1/20 0.41
DPP9 Q86TI2 1/20 0.41
IRAK4 Q9NWZ3 1/20 0.41
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
NR1H2 P55055 1/20 0.38
NR1H3 Q13133 1/20 0.38
TP53 P04637 2/20 0.37
MAPT P10636 2/20 0.37
LMNA P02545 2/20 0.37
HTT P42858 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HRH3 Q9Y5N1 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
SCHEMBL2712075 0.94 DPP4 (0.64) DPP4DPP8DPP9IRAK4HRH3
SCHEMBL2710450 0.89 NPC1 (0.49) DPP4NPC1RAB9ATP53MAPT
SCHEMBL2710588 0.89 DPP4 (0.48) DPP4NPC1RAB9ATP53MAPT
SCHEMBL2709289 0.88 MAPT (0.51) DPP4NPC1RAB9ATP53MAPT
SCHEMBL2709994 0.88 DPP4 (0.46) DPP4DPP8DPP9NPC1RAB9A
SCHEMBL2707234 0.87 DPP4 (0.60) DPP4DPP8DPP9NPC1RAB9A
SCHEMBL2711735 0.87 DPP4 (0.46) DPP4NPC1RAB9ATP53MAPT
SCHEMBL2708018 0.86 RAB9A (0.50) DPP4DPP8DPP9NPC1RAB9A
SCHEMBL2711283 0.85 DPP4 (0.49) DPP4NPC1RAB9A
SCHEMBL5022976 0.84 DPP4 (0.53) DPP4DPP8DPP9IRAK4

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.