SCHEMBL30011980

SCHEMBL30011980

COc1ncccc1S(=O)(=O)N1CC2(CN(C(=O)N3CC4(CC(n5cnc(C6CC6)n5)C4)C3)C2)C1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 6/20 0.46
▸ CHRM4 P08173 1/20 0.35
▸ ALDH1A1 P00352 3/20 0.31
▸ LMNA P02545 2/20 0.31
▸ ALOX15 P16050 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ MAPK1 P28482 4/20 0.30
▸ SMN1; SMN2 Q16637 3/20 0.30
▸ MAPT P10636 2/20 0.30
▸ ROCK2 O75116 2/20 0.30
▸ GAA P10253 2/20 0.30
▸ HTT P42858 1/20 0.30
▸ NFE2L2 Q16236 1/20 0.30
▸ FAAH O00519 1/20 0.30

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
SCHEMBL27246262 1.00 MGLL (0.46) MGLLCHRM4ALDH1A1LMNAALOX15
SCHEMBL27148822 0.88 MGLL (0.47) MGLLCHRM4
SCHEMBL27153511 0.87 MGLL (0.48) MGLLCHRM4ALDH1A1ALOX15MAPK1
SCHEMBL30012560 0.85 MGLL (0.53) MGLLSMN1; SMN2
SCHEMBL27246340 0.85 MGLL (0.53) MGLLSMN1; SMN2
SCHEMBL27151254 0.85 MGLL (0.46) MGLLALDH1A1LMNAHSD17B10
SCHEMBL27149048 0.83 MGLL (0.50) MGLLALDH1A1LMNA
SCHEMBL27246303 0.83 MGLL (0.49) MGLLHSD17B10
SCHEMBL27148689 0.82 MGLL (0.48) MGLLHSD17B10ROCK2
SCHEMBL27155025 0.82 MGLL (0.48) MGLLALDH1A1LMNAMAPK1GAA

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
EP-4326714-A1 HETEROCYCLIC COMPOUNDS F. Hoffmann-La Roche AG (CH) 2024-02-28 — — EP claimed
CN-117295726-A Heterocyclic compounds 豪夫迈·罗氏有限公司 2023-12-26 — — CN claimed
WO-2022223750-A1 HETEROCYCLIC COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2022-10-27 — — WO claimed
US-20240199587-A1 HETEROCYCLIC COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2024-06-20 — — US disclosed
EP-4326714-A1 HETEROCYCLIC COMPOUNDS F. Hoffmann-La Roche AG (CH) 2024-02-28 — — EP disclosed
CN-117295726-A Heterocyclic compounds 豪夫迈·罗氏有限公司 2023-12-26 — — CN disclosed
WO-2022223750-A1 HETEROCYCLIC COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2022-10-27 — — WO 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 (1 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-20240199587-A1 HETEROCYCLIC COMPOUNDS CYP1B1, CYP1A1, CYP4B1 MGLL 4524/4885CHRM4 1153/4885ALDH1A1 295/4885

“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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