SCHEMBL3540545

SCHEMBL3540545

CCOC(=O)C(C)C1(c2[c]cccc2)CCCCC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.36
OPRM1 P35372 4/20 0.35
SLC6A4 P31645 2/20 0.35
OPRD1 P41143 2/20 0.35
OPRK1 P41145 2/20 0.35
SLC22A1 O15245 1/20 0.35
ADRA1A P35348 1/20 0.35
KCNH2 Q12809 1/20 0.35
TSHR P16473 4/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
LMNA P02545 1/20 0.35
NLRP3 Q96P20 1/20 0.35
PIN1 Q13526 1/20 0.35
ALDH1A1 P00352 2/20 0.34
CYP1A2 P05177 2/20 0.34
CYP2C9 P11712 2/20 0.34
POLB P06746 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
NPC1 O15118 1/20 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
SCHEMBL3545228 0.96 SMN1; SMN2 (0.39) SMN1; SMN2OPRM1SLC6A4OPRD1OPRK1
SCHEMBL3542301 0.82 SLC6A3 (0.37) SLC6A4KCNH2ALDH1A1MEN1KMT2A
SCHEMBL3538190 0.78 LMNA (0.33) SMN1; SMN2SLC6A4LMNAALDH1A1CYP3A4
SCHEMBL3540548 0.77 SLC6A4 (0.37) SMN1; SMN2SLC6A4ALDH1A1CYP1A2CYP2C9
SCHEMBL3546376 0.77 SLC6A4 (0.38) SLC6A4KCNH2SLC6A2SLC6A3
SCHEMBL3545675 0.75 GAA (0.44) SMN1; SMN2OPRM1KCNH2TSHRL3MBTL1
SCHEMBL3542654 0.74 GAA (0.45) SMN1; SMN2OPRM1SLC6A4OPRD1OPRK1
SCHEMBL3540356 0.70 ALDH1A1 (0.38) SMN1; SMN2OPRM1OPRK1TSHRLMNA
SCHEMBL3543448 0.70 ALDH1A1 (0.38) SMN1; SMN2OPRM1OPRK1TSHRLMNA
SCHEMBL290573 0.69 OPRM1 (0.46) SMN1; SMN2OPRM1SLC6A4OPRD1OPRK1

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 6 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
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

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.