SCHEMBL2709108

SCHEMBL2709108

CC(C)(C)OC(=O)N1C[C@@H](N2CCC(n3c(=O)[nH]c4ccccc43)CC2)C[C@H]1C(=O)N1CCSC1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 8/20 0.51
CHRM2 P08172 4/20 0.51
CHRM4 P08173 4/20 0.51
CHRM3 P20309 3/20 0.51
CHRM5 P08912 2/20 0.51
CCR5 P51681 2/20 0.47
HSD11B1 P28845 4/20 0.45
SLC18A3 Q16572 1/20 0.43
PLD2 O14939 2/20 0.42
PLD1 Q13393 2/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPK1 P28482 1/20 0.42

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
SCHEMBL2708514 0.82 PREP (0.40)
SCHEMBL2855851 0.82 GPR119 (0.42)
SCHEMBL2712126 0.81 DPP4 (0.55)
SCHEMBL2710710 0.81 DPP4 (0.45) ALDH1A1
SCHEMBL2854018 0.80 PREP (0.39)
SCHEMBL2709957 0.80 DPP4 (0.48) ALDH1A1MAPK1
SCHEMBL2709740 0.79 DPP4 (0.53)
SCHEMBL13243455 0.79 CHRM1 (0.67) CHRM1CHRM2CHRM4CHRM3CHRM5
SCHEMBL3004078 0.79 CHRM1 (0.67) CHRM1CHRM2CHRM4CHRM3CHRM5
SCHEMBL2712415 0.79 DPP4 (0.51)

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 9 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-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 (2 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-20050245538-A1 Proline derivatives and use thereof as drugs DPP4, DPP3, DPP7 CHRM1 4352/4885CHRM2 4441/4885CHRM4 3879/4885
US-20040106655-A1 Proline derivatives and the use thereof as drugs DPP4, DPP3, DPP7 CHRM1 3498/4885CHRM2 4307/4885CHRM4 3814/4885

“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.