SCHEMBL27148689

SCHEMBL27148689

NC(=O)c1ccccc1S(=O)(=O)N1CC2(CN(C(=O)N3CC4(CC(n5cnc(C6CC6)n5)C4)C3)C2)C1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 6/20 0.48
▸ CNR1 P21554 3/20 0.35
▸ BTK Q06187 3/20 0.35
▸ PARP1 P09874 2/20 0.33
▸ PARP2 Q9UGN5 1/20 0.33
▸ MMP2 P08253 1/20 0.32
▸ MMP13 P45452 1/20 0.32
▸ ROCK2 O75116 3/20 0.31
▸ HSD17B10 Q99714 1/20 0.30
▸ HRH3 Q9Y5N1 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
SCHEMBL27246303 0.92 MGLL (0.49) MGLLCNR1BTKMMP2MMP13
SCHEMBL27151254 0.89 MGLL (0.46) MGLLHSD17B10
SCHEMBL27154715 0.89 MGLL (0.46) MGLLMMP2MMP13HSD17B10
SCHEMBL30720227 0.85 MGLL (0.57) MGLL
SCHEMBL27148822 0.85 MGLL (0.47) MGLLCNR1
SCHEMBL27152744 0.85 MGLL (0.47) MGLL
SCHEMBL27153511 0.84 MGLL (0.48) MGLLHRH3
SCHEMBL27152036 0.84 MGLL (0.51) MGLLCNR1PARP1PARP2HRH3
SCHEMBL30013199 0.83 MGLL (0.47) MGLLBTK
SCHEMBL27150497 0.83 MGLL (0.47) MGLLBTK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240199587-A1 HETEROCYCLIC COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2024-06-20 — — US claimed
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 4524/4885CNR1 112/4885BTK 1562/4885

“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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