SCHEMBL13008709

SCHEMBL13008709

COC(=O)C1CCC(c2ccc(C(C)(C)C)cc2)C1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC6A2 P23975 1/20 0.55
▸ AKR1C3 P42330 1/20 0.45
▸ AKR1C1 Q04828 1/20 0.45
▸ CYP3A4 P08684 1/20 0.42
▸ GAA P10253 1/20 0.41
▸ TRPV1 Q8NER1 3/20 0.41
▸ S1PR1 P21453 1/20 0.41
▸ RAB9A P51151 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ HPGD P15428 1/20 0.40
▸ PDE4A P27815 1/20 0.40
▸ PDE4B Q07343 1/20 0.40
▸ PDE4C Q08493 1/20 0.40
▸ PDE4D Q08499 1/20 0.40
▸ MAPT P10636 1/20 0.39
▸ NPC1 O15118 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ APEX1 P27695 1/20 0.38
▸ MAPK1 P28482 1/20 0.38

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
SCHEMBL30389049 0.92 SLC6A2 (0.56) SLC6A2CYP3A4GAAS1PR1RAB9A
SCHEMBL23605146 0.92 SLC6A2 (0.56) SLC6A2CYP3A4GAAS1PR1RAB9A
SCHEMBL30389265 0.92 SLC6A2 (0.56) SLC6A2CYP3A4GAAS1PR1RAB9A
SCHEMBL13008767 0.91 SLC6A2 (0.54) SLC6A2CYP3A4GAAS1PR1RAB9A
SCHEMBL13008796 0.84 AKR1C3 (0.65) SLC6A2AKR1C3AKR1C1GAATRPV1
SCHEMBL23368783 0.83 AKR1C3 (0.49) SLC6A2AKR1C3AKR1C1ALDH1A1
SCHEMBL23368720 0.81 SLC6A3 (0.49) SLC6A2AKR1C3AKR1C1ALDH1A1PDE4A
SCHEMBL23368722 0.81 SLC6A3 (0.49) SLC6A2AKR1C3AKR1C1ALDH1A1PDE4A
SCHEMBL3540991 0.81 AKR1C3 (0.47) AKR1C3AKR1C1RAB9APDE4APDE4B
SCHEMBL15966309 0.81 SLC6A3 (0.49) SLC6A2AKR1C3AKR1C1ALDH1A1PDE4A

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 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
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 SLC6A2 775/4885AKR1C3 1099/4885AKR1C1 824/4885
US-20080096874-A1 Oxadiazole Derivative as Dgat Inhibitors DGAT1, DGAT2, GPR119 SLC6A2 770/4885AKR1C3 1154/4885AKR1C1 862/4885

“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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