SCHEMBL23149385

SCHEMBL23149385

CC(C)(C)OC(=O)N1CC2CCC(C1)C2COS(C)(=O)=O

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.50
GPR119 Q8TDV5 11/20 0.40
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37
HPGD P15428 1/20 0.37
PREP P48147 2/20 0.36

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
SCHEMBL29674207 0.92 NR1H2 (0.54) NR1H2GPR119JAK2JAK1MEN1
SCHEMBL9963036 0.86 NR1H2 (0.46) NR1H2GPR119MEN1ALDH1A1MAPT
SCHEMBL903929 0.86 NR1H2 (0.46) NR1H2GPR119MEN1ALDH1A1MAPT
SCHEMBL29801823 0.86 NR1H2 (0.46) NR1H2GPR119MEN1ALDH1A1MAPT
SCHEMBL10067585 0.86 NR1H2 (0.46) NR1H2GPR119MEN1ALDH1A1MAPT
SCHEMBL371676 0.83 NR1H2 (0.65) NR1H2GPR119JAK2JAK1
SCHEMBL903879 0.83 NR1H2 (0.65) NR1H2GPR119JAK2JAK1
SCHEMBL1225473 0.83 NR1H2 (0.65) NR1H2GPR119JAK2JAK1
SCHEMBL445759 0.82 NR1H2 (0.51) NR1H2GPR119
SCHEMBL17310897 0.82 NR1H2 (0.48) NR1H2GPR119MEN1ALDH1A1MAPT

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4028401-B1 4,4A,5,7,8,8A-HEXAPYRIDO[4,3-B][1,4]OXAZIN-3-ONE COMPOUNDS AS MAGL INHIBITORS HOFFMANN LA ROCHE (CH) 2023-11-22 EP disclosed
US-20220275005-A1 HETEROCYCLIC COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2022-09-01 US disclosed
EP-4028401-A1 4,4A,5,7,8,8A-HEXAPYRIDO[4,3-B][1,4]OXAZIN-3-ONE COMPOUNDS AS MAGL INHIBITORS F. Hoffmann-La Roche AG (CH) 2022-07-20 EP disclosed
CN-114364682-A Compound 4,4A,5,7,8, 8A-hexapyrido [4,3-B ] [1,4] oxazin-3-one as MAGL inhibitor 豪夫迈·罗氏有限公司 2022-04-15 CN disclosed
US-20210094971-A1 HETEROCYCLIC COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2021-04-01 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-20210094971-A1 HETEROCYCLIC COMPOUNDS CYP1B1, CYP4B1, CYP4X1 NR1H2 1200/4885GPR119 2884/4885JAK2 1098/4885
US-20220275005-A1 HETEROCYCLIC COMPOUNDS CYP1B1, CYP4B1, CYP4X1 NR1H2 1200/4885GPR119 2884/4885JAK2 1098/4885

“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.