SCHEMBL25325473

SCHEMBL25325473

O=C(N1CC2(CCC(Cc3ccc(Cl)cn3)CC2)C1)N1CC2(CC(c3nnc(C4CC4)[nH]3)C2)C1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TRPA1 O75762 1/20 0.38
▸ MGLL Q99685 4/20 0.34
▸ SMYD3 Q9H7B4 1/20 0.33
▸ AVPR1A P37288 4/20 0.33
▸ EPHX2 P34913 1/20 0.33
▸ AVPR2 P30518 2/20 0.32
▸ TACR3 P29371 1/20 0.32
▸ CCNE1 P24864 1/20 0.31
▸ CDK2 P24941 1/20 0.31
▸ GSK3B P49841 1/20 0.31
▸ CYP11B1 P15538 1/20 0.30
▸ CYP11B2 P19099 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
SCHEMBL30553165 1.00 TRPA1 (0.38) TRPA1MGLLSMYD3AVPR1AEPHX2
SCHEMBL25916089 0.92 TRPA1 (0.38) TRPA1SMYD3EPHX2TACR3
SCHEMBL30553264 0.90 TRPA1 (0.37) TRPA1MGLLAVPR1AEPHX2AVPR2
SCHEMBL25322590 0.90 TRPA1 (0.37) TRPA1MGLLAVPR1AEPHX2AVPR2
SCHEMBL25324301 0.89 MGLL (0.36) MGLLSMYD3AVPR1AAVPR2
SCHEMBL25324506 0.86 MGLL (0.40) MGLLEPHX2CCNE1CDK2
SCHEMBL30553199 0.82 TRPA1 (0.35) TRPA1MGLLAVPR1A
SCHEMBL25325087 0.82 TRPA1 (0.35) TRPA1MGLLAVPR1A
SCHEMBL25326703 0.81 MGLL (0.41) MGLLEPHX2CCNE1CDK2
SCHEMBL25325125 0.81 MGLL (0.41) MGLLSMYD3AVPR1AAVPR2

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 3523/4885SMYD3 2711/4885

“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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