SCHEMBL3541202

SCHEMBL3541202

COC(=O)C1CCN(c2ncc([N+](=O)[O-])cc2C)CC1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.58
OPRK1 P41145 3/20 0.54
TDP1 Q9NUW8 1/20 0.49
KDM4E B2RXH2 1/20 0.47
POLB P06746 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
ALDH1A1 P00352 1/20 0.44
MAPK1 P28482 1/20 0.44
HTT P42858 1/20 0.44
NEK2 P51955 1/20 0.44
RHOA P61586 1/20 0.43
LMNA P02545 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
GALR3 O60755 1/20 0.41
GPR119 Q8TDV5 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
SCHEMBL13009734 0.83 OPRK1 (0.52) MAPTOPRK1POLBL3MBTL1ALDH1A1
SCHEMBL16467020 0.83 OPRK1 (0.50) MAPTOPRK1POLBL3MBTL1ALDH1A1
SCHEMBL16467021 0.83 ALDH1A1 (0.50) MAPTOPRK1KDM4EPOLBL3MBTL1
SCHEMBL5252144 0.81 OPRK1 (0.49) MAPTOPRK1KDM4EPOLBL3MBTL1
SCHEMBL801074 0.81 ALDH1A1 (0.59) MAPTOPRK1TDP1POLBALDH1A1
SCHEMBL3538620 0.81 NEK2 (0.52) MAPTOPRK1KDM4EPOLBALDH1A1
SCHEMBL4110130 0.81 OPRK1 (0.54) OPRK1KDM4E
SCHEMBL16449195 0.81 KDM4E (0.51) MAPTOPRK1KDM4EL3MBTL1ALDH1A1
SCHEMBL16467104 0.80 OPRK1 (0.47) MAPTOPRK1POLBL3MBTL1ALDH1A1
SCHEMBL3544900 0.79 OPRK1 (0.47) MAPTOPRK1POLBL3MBTL1ALDH1A1

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 8 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-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-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
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 MAPT 2115/4885OPRK1 1124/4885TDP1 4089/4885
US-20080096874-A1 Oxadiazole Derivative as Dgat Inhibitors DGAT1, DGAT2, GPR119 MAPT 1986/4885OPRK1 1053/4885TDP1 3959/4885

“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.