SCHEMBL25255084

SCHEMBL25255084

CC(C)(C)OC(=O)N1CC2(CCC(Oc3ccc(F)cc3S(C)(=O)=O)CC2)C1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ GPR119 Q8TDV5 15/20 0.52
▸ HDAC1 Q13547 1/20 0.41
▸ HDAC2 Q92769 1/20 0.41
▸ FAAH O00519 1/20 0.41
▸ MGLL Q99685 1/20 0.41
▸ ABHD6 Q9BV23 1/20 0.41
▸ KDM1A O60341 1/20 0.41
▸ PDE4B Q07343 2/20 0.41
▸ PDE4A P27815 1/20 0.39
▸ PDE4C Q08493 1/20 0.39
▸ PDE4D Q08499 1/20 0.39

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
SCHEMBL25297802 0.88 GPR119 (0.39) GPR119FAAHMGLLABHD6
SCHEMBL31402913 0.79 GPR119 (0.52) GPR119KDM1APDE4BPDE4APDE4C
SCHEMBL30700727 0.79 GPR119 (0.50) GPR119FAAHMGLLABHD6KDM1A
SCHEMBL30700494 0.79 SMN1; SMN2 (0.46) GPR119PDE4B
SCHEMBL25324849 0.77 SCN9A (0.36) GPR119FAAHMGLLABHD6
SCHEMBL25145742 0.77 MGLL (0.41) MGLL
SCHEMBL25146219 0.77 SCN9A (0.38) GPR119
SCHEMBL25252316 0.77 GPR119 (0.48) GPR119HDAC1HDAC2
SCHEMBL14662691 0.75 GPR119 (0.41) GPR119
SCHEMBL25295322 0.75 ABHD6 (0.46) GPR119HDAC1HDAC2FAAHMGLL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11981661-B2 Heterocyclic compounds HOFFMANN-LA ROCHE INC. (US) 2024-05-14 — — US disclosed
EP-4208456-A1 HETEROCYCLIC COMPOUNDS F. Hoffmann-La Roche AG (CH) 2023-07-12 — — EP disclosed
CN-115989228-A Heterocyclic compounds 豪夫迈·罗氏有限公司 2023-04-18 — — CN disclosed
US-20220098176-A1 HETEROCYCLIC COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2022-03-31 — — 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-20220098176-A1 HETEROCYCLIC COMPOUNDS CBR3, BRIX1, CCNY GPR119 2316/4885HDAC1 1038/4885HDAC2 1346/4885
US-11981661-B2 Heterocyclic compounds CBR3, BRIX1, CCNY GPR119 2316/4885HDAC1 1038/4885HDAC2 1346/4885

“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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