SCHEMBL2709374

SCHEMBL2709374

CC(C)(C)OC(=O)N1C[C@H](Nc2nc3ccccc3o2)C[C@H]1C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 1/20 0.43
PCSK9 Q8NBP7 1/20 0.41
HCRTR1 O43613 7/20 0.39
HCRTR2 O43614 6/20 0.39
SSTR5 P35346 4/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
GAA P10253 1/20 0.38
TP53 P04637 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HTRA1 Q92743 1/20 0.37
CXCR3 P49682 1/20 0.37
UCHL1 P09936 1/20 0.37

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
SCHEMBL2707519 1.00 OPRK1 (0.43) OPRK1PCSK9HCRTR1HCRTR2SSTR5
SCHEMBL6362125 0.91 HCRTR1 (0.41) OPRK1PCSK9HCRTR1HCRTR2SSTR5
SCHEMBL6366059 0.91 HCRTR1 (0.41) OPRK1PCSK9HCRTR1HCRTR2SSTR5
SCHEMBL2708829 0.86 DPP4 (0.41) OPRK1PCSK9HCRTR1HCRTR2SSTR5
SCHEMBL2712779 0.82 DPP4 (0.41) OPRK1HCRTR1HCRTR2
SCHEMBL2710614 0.82 DPP4 (0.41) OPRK1HCRTR1HCRTR2
SCHEMBL2712772 0.82 DPP4 (0.41) OPRK1HCRTR1HCRTR2
SCHEMBL2710611 0.82 DPP4 (0.41) OPRK1HCRTR1HCRTR2
SCHEMBL13623178 0.80 HTRA1 (0.44) NPC1RAB9AHTRA1UCHL1
SCHEMBL12267629 0.80 HTRA1 (0.44) NPC1RAB9AHTRA1UCHL1

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 OPRK1 1251/4885PCSK9 253/4885HCRTR1 3277/4885
US-20050245538-A1 Proline derivatives and use thereof as drugs DPP4, DPP3, DPP7 OPRK1 1251/4885PCSK9 253/4885HCRTR1 3277/4885
US-20040106655-A1 Proline derivatives and the use thereof as drugs DPP4, DPP3, DPP7 OPRK1 1073/4885PCSK9 343/4885HCRTR1 2441/4885

“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.