SCHEMBL2709243

SCHEMBL2709243

CC(C)(C)OC(=O)N1C[C@@H](N2CCC(c3ccc([N+](=O)[O-])cc3)CC2)C[C@H]1C(=O)N1CCSC1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 10/20 0.59
DPP8 Q6V1X1 1/20 0.44
DPP9 Q86TI2 1/20 0.44
PREP P48147 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
SLC18A3 Q16572 1/20 0.39
DPP7 Q9UHL4 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
ESRRG P62508 1/20 0.34
HSD17B10 Q99714 1/20 0.34
NAMPT P43490 1/20 0.34
FAAH O00519 1/20 0.34
LCK P06239 1/20 0.34
JAK3 P52333 1/20 0.34
BTK Q06187 1/20 0.34

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
SCHEMBL2711676 0.89 DPP4 (0.46) DPP4PREPLMNAMAPTCYP1A2
SCHEMBL2709334 0.89 DPP4 (0.52) DPP4DPP8DPP9PREPALDH1A1
SCHEMBL2712126 0.88 DPP4 (0.55) DPP4PREPNAMPT
SCHEMBL2709697 0.88 DPP4 (0.59) DPP4DPP8DPP9ALDH1A1LMNA
SCHEMBL2709298 0.88 DPP4 (0.59) DPP4DPP8DPP9ALDH1A1LMNA
SCHEMBL2710579 0.87 DPP4 (0.46) DPP4DPP8DPP9PREPALDH1A1
SCHEMBL2708946 0.85 PREP (0.43) DPP4PREPLMNAMAPTCYP1A2
SCHEMBL2733987 0.85 DPP4 (0.61) DPP4DPP8DPP9ALDH1A1LMNA
SCHEMBL2710138 0.84 DPP4 (0.41) DPP4PREPDPP7
SCHEMBL2711724 0.84 DPP4 (0.47) DPP4DPP8DPP9PREPNAMPT

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.