SCHEMBL3539654

SCHEMBL3539654

CCOC(=O)C(c1cc[c]cc1)C1CCC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 7/20 0.48
SLC6A2 P23975 5/20 0.48
TSHR P16473 3/20 0.48
CYP3A4 P08684 2/20 0.48
CYP2D6 P10635 2/20 0.48
CHRM2 P08172 1/20 0.48
HTR1A P08908 1/20 0.48
ADRA2A P08913 1/20 0.48
CHRM1 P11229 1/20 0.48
DRD1 P21728 1/20 0.48
ADRA1A P35348 1/20 0.48
OPRM1 P35372 1/20 0.48
DRD3 P35462 1/20 0.48
KCNH2 Q12809 1/20 0.48
LMNA P02545 1/20 0.48
CYP1A2 P05177 1/20 0.48
SLC6A4 P31645 3/20 0.47
L3MBTL1 Q9Y468 1/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 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
SCHEMBL28632940 0.82 SLC6A2 (0.67) SLC6A3SLC6A2TSHRCYP3A4CYP2D6
SCHEMBL10955574 0.81 SLC6A2 (0.70) SLC6A3SLC6A2TSHRCYP3A4CYP2D6
SCHEMBL11932077 0.79 SLC6A3 (0.51) SLC6A3SLC6A2TSHRCYP3A4CYP2D6
SCHEMBL3542902 0.78 HTR1E (0.44) SLC6A3SLC6A2TSHRCYP3A4CYP2D6
SCHEMBL3539652 0.76 SLC6A2 (0.44) SLC6A3SLC6A2TSHRCYP3A4CYP2D6
SCHEMBL11932079 0.75 SLC6A3 (0.54) SLC6A3SLC6A2TSHRCYP3A4CYP2D6
SCHEMBL14862650 0.74 SLC6A3 (0.46) SLC6A3SLC6A2TSHRCYP3A4CYP2D6
SCHEMBL30771364 0.73 SLC6A2 (0.56) SLC6A3SLC6A2TSHRCYP3A4CYP2D6
SCHEMBL7489656 0.73 SLC6A2 (0.68) SLC6A3SLC6A2TSHRCYP3A4CYP2D6
SCHEMBL11366829 0.73 SLC6A3 (0.48) SLC6A3SLC6A2TSHRCYP3A4CYP2D6

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 12 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 claimed
US-7795283-B2 Oxadiazole derivative as DGAT inhibitors ASTRAZENECA AB (SE) 2010-09-14 US claimed
US-20080096874-A1 Oxadiazole Derivative as Dgat Inhibitors ASTRAZENECA AB (SE) 2008-04-24 US claimed
CN-101115731-A Oxadiazole derivatives as DGAT inhibitors ASTRAZENECA AB (SE) 2008-01-30 CN claimed
EP-1833806-A1 OXADIAZOLE DERIVATIVES AS DGAT INHIBITORS AstraZeneca AB (SE) 2007-09-19 EP claimed
WO-2006064189-A1 OXADIAZOLE DERIVATIVES AS DGAT INHIBITORS ASTRAZENECA AB (SE) 2006-06-22 WO claimed
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
CN-101115731-A Oxadiazole derivatives as DGAT inhibitors ASTRAZENECA AB (SE) 2008-01-30 CN 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 SLC6A3 413/4885SLC6A2 775/4885TSHR 1451/4885
US-20080096874-A1 Oxadiazole Derivative as Dgat Inhibitors DGAT1, DGAT2, GPR119 SLC6A3 363/4885SLC6A2 770/4885TSHR 1169/4885

“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.