SCHEMBL27154085

SCHEMBL27154085

O=C(N1CC2(CC(n3cnc(C4CC4)n3)C2)C1)N1CC2(C1)CN(S(=O)(=O)c1ccc(F)cc1C(F)(F)F)C2

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 6/20 0.55
▸ EPHX2 P34913 1/20 0.40
▸ TRPV4 Q9HBA0 2/20 0.36
▸ SPR P35270 1/20 0.32
▸ CACNA1B Q00975 1/20 0.31
▸ BTK Q06187 2/20 0.30
▸ HSD11B1 P28845 1/20 0.30
▸ RBP4 P02753 1/20 0.30
▸ P2RX7 Q99572 1/20 0.30
▸ PKM P14618 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
SCHEMBL27154637 0.90 MGLL (0.50) MGLLSPRPKM
SCHEMBL30720227 0.89 MGLL (0.57) MGLL
SCHEMBL27149324 0.88 MGLL (0.49) MGLLEPHX2TRPV4SPR
SCHEMBL27154602 0.86 MGLL (0.47) MGLLPKM
SCHEMBL30013371 0.85 MGLL (0.57) MGLLRBP4
SCHEMBL27246386 0.85 MGLL (0.55) MGLLCACNA1BBTK
SCHEMBL27246250 0.85 MGLL (0.57) MGLLBTKP2RX7
SCHEMBL30012560 0.84 MGLL (0.53) MGLL
SCHEMBL27246340 0.84 MGLL (0.53) MGLL
SCHEMBL27151237 0.84 MGLL (0.54) MGLL

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 4524/4885EPHX2 154/4885TRPV4 3928/4885

“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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