SCHEMBL3545228

SCHEMBL3545228

CCOC(=O)C(C)C1(c2[c]cccc2)CCC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.39
OPRM1 P35372 4/20 0.36
SLC6A4 P31645 3/20 0.36
OPRD1 P41143 2/20 0.36
OPRK1 P41145 2/20 0.36
SLC22A1 O15245 1/20 0.36
ADRA1A P35348 1/20 0.36
KCNH2 Q12809 1/20 0.36
PIN1 Q13526 1/20 0.35
ALDH1A1 P00352 2/20 0.35
CYP1A2 P05177 1/20 0.35
POLB P06746 1/20 0.35
CYP2C9 P11712 1/20 0.35
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
KMT2A Q03164 1/20 0.35
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34
APEX1 P27695 1/20 0.34
TSHR P16473 4/20 0.34

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
SCHEMBL3540545 0.96 SMN1; SMN2 (0.36) SMN1; SMN2OPRM1SLC6A4OPRD1OPRK1
SCHEMBL3538190 0.82 LMNA (0.33) SMN1; SMN2SLC6A4ALDH1A1SLC6A2SLC6A3
SCHEMBL3542301 0.78 SLC6A3 (0.37) SLC6A4KCNH2ALDH1A1MEN1KMT2A
SCHEMBL3540548 0.73 SLC6A4 (0.37) SMN1; SMN2SLC6A4ALDH1A1CYP1A2CYP2C9
SCHEMBL3546376 0.72 SLC6A4 (0.38) SLC6A4KCNH2SLC6A2SLC6A3
SCHEMBL3542654 0.72 GAA (0.45) SMN1; SMN2OPRM1SLC6A4OPRD1OPRK1
SCHEMBL3545675 0.71 GAA (0.44) SMN1; SMN2OPRM1KCNH2ALDH1A1KDM4E
SCHEMBL4816673 0.68 TSHR (0.43) SMN1; SMN2PIN1ALDH1A1POLBMEN1
SCHEMBL3550933 0.67 SMN1; SMN2 (0.46) SMN1; SMN2OPRM1SLC6A4OPRD1OPRK1
SCHEMBL3543448 0.66 ALDH1A1 (0.38) SMN1; SMN2OPRM1OPRK1ALDH1A1CYP1A2

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 10 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
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
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 SMN1; SMN2 4452/4885OPRM1 993/4885SLC6A4 886/4885
US-20080096874-A1 Oxadiazole Derivative as Dgat Inhibitors DGAT1, DGAT2, GPR119 SMN1; SMN2 4458/4885OPRM1 956/4885SLC6A4 844/4885

“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.