SCHEMBL3540587

SCHEMBL3540587

COC(=O)CC1CCN(c2ncc(NC(=O)C(=O)O)cc2C)CC1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ENPP1 P22413 1/20 0.41
OPRK1 P41145 8/20 0.40
DHODH Q02127 2/20 0.39
PRMT5 O14744 1/20 0.38
WDR77 Q9BQA1 1/20 0.38
MALT1 Q9UDY8 2/20 0.37
ABL1 P00519 3/20 0.36
DGAT1 O75907 1/20 0.36
DEGS1 O15121 1/20 0.35
MAPK1 P28482 1/20 0.35

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
SCHEMBL13009740 0.92 ENPP1 (0.41) ENPP1OPRK1DHODHPRMT5WDR77
SCHEMBL13009733 0.90 ENPP1 (0.40) ENPP1OPRK1DHODHPRMT5WDR77
SCHEMBL13009737 0.81 OPRK1 (0.48) ENPP1OPRK1DGAT1
SCHEMBL3545445 0.81 DHODH (0.39) ENPP1OPRK1DHODHPRMT5WDR77
SCHEMBL3537299 0.81 DGAT1 (0.49) DGAT1DEGS1
SCHEMBL13009345 0.78 DGAT1 (0.51) DGAT1
SCHEMBL13009734 0.77 OPRK1 (0.52) ENPP1OPRK1MAPK1
SCHEMBL3549423 0.75 KDM4E (0.46) OPRK1DHODHMALT1MAPK1
SCHEMBL3539277 0.73 KDM4E (0.45) OPRK1MALT1MAPK1
SCHEMBL3542120 0.72 OPRK1 (0.40) OPRK1DHODHMALT1MAPK1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100317653-A1 OXADIAZOLE DERIVATIVES AS DGAT INHIBITORS ASTRAZENECA AB (SE) 2010-12-16 US disclosed
US-7795283-B2 Oxadiazole derivative as DGAT inhibitors ASTRAZENECA AB (SE) 2010-09-14 US disclosed
US-20080096874-A1 Oxadiazole Derivative as Dgat Inhibitors ASTRAZENECA AB (SE) 2008-04-24 US disclosed
EP-1833806-A1 OXADIAZOLE DERIVATIVES AS DGAT INHIBITORS AstraZeneca AB (SE) 2007-09-19 EP disclosed
WO-2006064189-A1 OXADIAZOLE DERIVATIVES AS DGAT INHIBITORS ASTRAZENECA AB (SE) 2006-06-22 WO 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-20100317653-A1 OXADIAZOLE DERIVATIVES AS DGAT INHIBITORS DGAT1, DGAT2, GPR119 ENPP1 2244/4885OPRK1 1124/4885DHODH 80/4885
US-20080096874-A1 Oxadiazole Derivative as Dgat Inhibitors DGAT1, DGAT2, GPR119 ENPP1 2379/4885OPRK1 1053/4885DHODH 123/4885

“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.