SCHEMBL25325087

SCHEMBL25325087

O=C(N1CC2(CCC(Cc3ccc(Cl)cn3)CC2)C1)N1CC2(CC(c3nc(C4CC(F)(F)C4)n[nH]3)C2)C1

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ TRPA1 O75762 1/20 0.35
▸ MGLL Q99685 4/20 0.34
▸ AVPR1A P37288 1/20 0.31

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
SCHEMBL30553199 1.00 TRPA1 (0.35) TRPA1MGLLAVPR1A
SCHEMBL25326753 0.89 MGLL (0.38) MGLL
SCHEMBL25328035 0.82 MGLL (0.41) MGLL
SCHEMBL25325473 0.82 TRPA1 (0.38) TRPA1MGLLAVPR1A
SCHEMBL30553165 0.82 TRPA1 (0.38) TRPA1MGLLAVPR1A
SCHEMBL25325700 0.80 MGLL (0.37) MGLL
SCHEMBL25327618 0.80 MGLL (0.38) MGLL
SCHEMBL25324526 0.79 MGLL (0.37) MGLLAVPR1A
SCHEMBL30553158 0.79 MGLL (0.37) MGLLAVPR1A
SCHEMBL25322590 0.78 TRPA1 (0.37) TRPA1MGLLAVPR1A

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 4 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
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
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 TRPA1 761/4885MGLL 3523/4885AVPR1A 135/4885

“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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