SCHEMBL25324929

SCHEMBL25324929

O=C(N1CC2(CC(Cc3ccc(C(F)(F)F)cn3)C2)C1)N1CC2(CC(c3nc(C4COC4)n[nH]3)C2)C1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 11/20 0.41
▸ SCN9A Q15858 3/20 0.31
▸ SCN10A Q9Y5Y9 1/20 0.31
▸ FPR1 P21462 1/20 0.30
▸ FPR2 P25090 1/20 0.30
▸ HCRTR1 O43613 1/20 0.30
▸ DGAT1 O75907 3/20 0.30
▸ KCNH2 Q12809 3/20 0.30
▸ PDE7B Q9NP56 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
SCHEMBL25327618 0.94 MGLL (0.38) MGLLSCN9ASCN10AFPR1FPR2
SCHEMBL25328035 0.91 MGLL (0.41) MGLLSCN9ASCN10AHCRTR1KCNH2
SCHEMBL25325817 0.87 MGLL (0.41) MGLL
SCHEMBL30553271 0.87 MGLL (0.41) MGLL
SCHEMBL25323434 0.86 MGLL (0.40) MGLL
SCHEMBL25324110 0.86 MGLL (0.39) MGLLSCN9ASCN10AHCRTR1
SCHEMBL25326753 0.85 MGLL (0.38) MGLLSCN9AHCRTR1DGAT1KCNH2
SCHEMBL25326128 0.84 MGLL (0.38) MGLL
SCHEMBL30553209 0.84 MGLL (0.38) MGLL
SCHEMBL25324842 0.84 MGLL (0.39) MGLLSCN9AHCRTR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250099448-A1 HETEROCYCLIC COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2025-03-27 — — US claimed
EP-4469446-A1 NEW HETEROCYCLIC COMPOUNDS F. Hoffmann-La Roche AG (CH) 2024-12-04 — — EP claimed
WO-2023144160-A1 NEW HETEROCYCLIC COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2023-08-03 — — WO claimed
US-20250099448-A1 HETEROCYCLIC COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2025-03-27 — — US disclosed
EP-4469446-A1 NEW HETEROCYCLIC COMPOUNDS F. Hoffmann-La Roche AG (CH) 2024-12-04 — — EP disclosed
WO-2023144160-A1 NEW HETEROCYCLIC COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2023-08-03 — — 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-20250099448-A1 HETEROCYCLIC COMPOUNDS OPRM1, CYP1A1, CYP3A4 MGLL 3523/4885SCN9A 1164/4885SCN10A 1349/4885

“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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