SCHEMBL27154602

SCHEMBL27154602

COc1cc(F)ccc1S(=O)(=O)N1CC2(CN(C(=O)N3CC4(CC(n5cnc(C6CC6)n5)C4)C3)C2)C1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 6/20 0.47
▸ AKR1C3 P42330 1/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ CHRM4 P08173 4/20 0.37
▸ CHRM1 P11229 3/20 0.37
▸ CHRM2 P08172 1/20 0.37
▸ CHRM5 P08912 1/20 0.37
▸ CCNT1 O60563 2/20 0.36
▸ CDK9 P50750 2/20 0.36
▸ PKM P14618 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.33
▸ TSHR P16473 1/20 0.33

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
SCHEMBL27148822 0.90 MGLL (0.47) MGLLAKR1C3CHRM4CHRM1CHRM2
SCHEMBL27154637 0.89 MGLL (0.50) MGLLAKR1C3PKM
SCHEMBL27149324 0.88 MGLL (0.49) MGLLAKR1C3
SCHEMBL27154085 0.86 MGLL (0.55) MGLLPKM
SCHEMBL27246391 0.82 MGLL (0.54) MGLLAKR1C3PKM
SCHEMBL27246262 0.82 MGLL (0.46) MGLLSMN1; SMN2CHRM4
SCHEMBL30011980 0.82 MGLL (0.46) MGLLSMN1; SMN2CHRM4
SCHEMBL27149048 0.81 MGLL (0.50) MGLLPKMKDM4ETSHR
SCHEMBL27246438 0.81 MGLL (0.52) MGLL
SCHEMBL30011280 0.80 MGLL (0.48) MGLLSMN1; SMN2TSHR

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 4524/4885AKR1C3 101/4885SMN1; SMN2 2783/4885

“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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