SCHEMBL2708613

SCHEMBL2708613

CC(C)(C)OC(=O)N1C[C@@H](N2CCC(c3nc4ccccc4s3)CC2)C[C@H]1C(=O)N1CCSC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.44
UBE2M P61081 10/20 0.43
DCUN1D1 Q96GG9 10/20 0.43
LMNA P02545 4/20 0.43
TP53 P04637 3/20 0.43
ALDH1A1 P00352 3/20 0.42
MAPT P10636 3/20 0.41
GPR119 Q8TDV5 1/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
RECQL P46063 1/20 0.41
POLB P06746 1/20 0.41
MAPK1 P28482 1/20 0.41
TSHR P16473 1/20 0.41
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 1/20 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
SCHEMBL2711568 0.88 DPP4 (0.40) DPP4UBE2MDCUN1D1LMNA
SCHEMBL2707234 0.87 DPP4 (0.60) DPP4LMNATP53ALDH1A1MAPT
SCHEMBL2712759 0.86 DPP4 (0.40) DPP4
SCHEMBL2712126 0.84 DPP4 (0.55) DPP4
SCHEMBL2710710 0.84 DPP4 (0.45) DPP4ALDH1A1MAPTPOLBHTT
SCHEMBL2708268 0.82 PREP (0.43) DPP4GPR119HSD17B10
SCHEMBL2708143 0.82 DPP4 (0.41) DPP4KMT2AMEN1MAPK1HSD17B10
SCHEMBL2711724 0.82 DPP4 (0.47) DPP4
SCHEMBL2711676 0.80 DPP4 (0.46) DPP4LMNATP53MAPTGPR119
SCHEMBL2709969 0.80 DPP4 (0.43) DPP4ALDH1A1KMT2AMEN1SMN1; SMN2

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 DPP4 1/4885UBE2M 3020/4885DCUN1D1 1844/4885
US-20040106655-A1 Proline derivatives and the use thereof as drugs DPP4, DPP3, DPP7 DPP4 1/4885UBE2M 3648/4885DCUN1D1 641/4885

“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.