SCHEMBL13009633

SCHEMBL13009633

CCOC(=O)C(C)[C@H]1CC[C@H](c2ccc(OS(=O)(=O)C(F)(F)F)cc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 4/20 0.48
▸ DRD3 P35462 4/20 0.48
▸ DRD1 P21728 3/20 0.48
▸ DRD4 P21917 3/20 0.48
▸ DRD5 P21918 3/20 0.48
▸ CXCR2 P25025 2/20 0.40
▸ CXCR1 P25024 1/20 0.40
▸ HTR1D P28221 1/20 0.38
▸ IDO1 P14902 1/20 0.37
▸ CACNA1G O43497 1/20 0.36
▸ CACNA1H O95180 1/20 0.36
▸ CACNA1I Q9P0X4 1/20 0.36
▸ ESR2 Q92731 1/20 0.36
▸ HSD11B1 P28845 1/20 0.35
▸ GPR119 Q8TDV5 1/20 0.35
▸ ADORA1 P30542 1/20 0.35
▸ MRGPRX4 Q96LA9 1/20 0.35

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
SCHEMBL660963 0.87 DRD2 (0.47) DRD2DRD3DRD1DRD4DRD5
SCHEMBL435425 0.87 DRD2 (0.47) DRD2DRD3DRD1DRD4DRD5
SCHEMBL17730831 0.82 ALDH1A1 (0.46) DRD2IDO1ESR2
SCHEMBL603381 0.81 DRD2 (0.50) DRD2DRD3DRD1DRD4DRD5
SCHEMBL4334143 0.81 DRD2 (0.49) DRD2DRD3DRD1DRD4DRD5
SCHEMBL16762854 0.81 DRD2 (0.49) DRD2DRD3DRD1DRD4DRD5
SCHEMBL14379228 0.80 ALDH1A1 (0.45) —
SCHEMBL13009628 0.79 ESR2 (0.54) ESR2
SCHEMBL27709005 0.79 ESR2 (0.54) ESR2
SCHEMBL22444698 0.78 DRD2 (0.57) DRD2DRD3DRD1DRD4DRD5

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 7 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
WO-2008129319-A1 SALTS OF OXADIAZOLE DERIVATIVES AS DGAT INHIBITORS ASTRAZENECA AB (SE) 2008-10-30 — — WO 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

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 DRD2 731/4885DRD3 705/4885DRD1 724/4885
US-20080096874-A1 Oxadiazole Derivative as Dgat Inhibitors DGAT1, DGAT2, GPR119 DRD2 551/4885DRD3 560/4885DRD1 512/4885

“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.

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