SCHEMBL3540548

SCHEMBL3540548

CCOC(=O)C(C)C1(c2cc[c]cc2)CCCCC1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 11/20 0.37
SLC6A3 Q01959 11/20 0.37
SLC6A2 P23975 6/20 0.37
PPARA Q07869 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
MEN1 O00255 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
KMT2A Q03164 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
ALDH1A1 P00352 1/20 0.33
KDM4E B2RXH2 3/20 0.33

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
SCHEMBL3542306 0.81 SLC6A4 (0.40) SLC6A4SLC6A3SLC6A2PPARA
SCHEMBL3540545 0.77 SMN1; SMN2 (0.36) SLC6A4SLC6A3SLC6A2SMN1; SMN2MEN1
SCHEMBL3545681 0.73 GAA (0.47) SLC6A4SLC6A3SLC6A2SMN1; SMN2MEN1
SCHEMBL3545228 0.73 SMN1; SMN2 (0.39) SLC6A4SLC6A3SLC6A2SMN1; SMN2MEN1
SCHEMBL290573 0.71 OPRM1 (0.46) SLC6A4SLC6A3SLC6A2SMN1; SMN2MEN1
SCHEMBL3542659 0.71 GAA (0.48) SMN1; SMN2MEN1CYP1A2CYP3A4CYP2D6
SCHEMBL27708673 0.71 SLC6A4 (0.44) SLC6A4SLC6A3SLC6A2KMT2A
SCHEMBL28122000 0.71 SLC6A4 (0.39) SLC6A4SLC6A3SLC6A2
SCHEMBL3550938 0.69 ACACB (0.43) SLC6A4SMN1; SMN2MEN1KMT2A
SCHEMBL19357459 0.69 SMN1; SMN2 (0.45) SLC6A4SLC6A3SLC6A2SMN1; SMN2MEN1

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 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
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

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 SLC6A4 886/4885SLC6A3 413/4885SLC6A2 775/4885
US-20080096874-A1 Oxadiazole Derivative as Dgat Inhibitors DGAT1, DGAT2, GPR119 SLC6A4 844/4885SLC6A3 363/4885SLC6A2 770/4885

“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.