SCHEMBL25326753

SCHEMBL25326753

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

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 11/20 0.38
▸ CCNE1 P24864 2/20 0.32
▸ CDK2 P24941 2/20 0.32
▸ SCN9A Q15858 2/20 0.32
▸ DPP4 P27487 1/20 0.32
▸ DPP8 Q6V1X1 1/20 0.32
▸ DPP7 Q9UHL4 1/20 0.32
▸ EPHX2 P34913 1/20 0.31
▸ SYK P43405 1/20 0.31
▸ HCRTR1 O43613 1/20 0.31
▸ DGAT1 O75907 1/20 0.30
▸ CYP3A4 P08684 1/20 0.30
▸ CYP2C9 P11712 1/20 0.30
▸ KCNH2 Q12809 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
SCHEMBL25328035 0.94 MGLL (0.41) MGLLCCNE1CDK2SCN9ADPP4
SCHEMBL25327618 0.91 MGLL (0.38) MGLLCCNE1CDK2SCN9ASYK
SCHEMBL25325087 0.89 TRPA1 (0.35) MGLL
SCHEMBL30553199 0.89 TRPA1 (0.35) MGLL
SCHEMBL25324929 0.85 MGLL (0.41) MGLLSCN9AHCRTR1DGAT1KCNH2
SCHEMBL25324506 0.83 MGLL (0.40) MGLLCCNE1CDK2SCN9AEPHX2
SCHEMBL25320922 0.82 MGLL (0.38) MGLLCCNE1CDK2SCN9AHCRTR1
SCHEMBL25324842 0.82 MGLL (0.39) MGLLCCNE1CDK2SCN9ADPP4
SCHEMBL25324110 0.82 MGLL (0.39) MGLLCCNE1CDK2SCN9AHCRTR1
SCHEMBL25324246 0.81 MGLL (0.41) MGLLCCNE1CDK2

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 3523/4885CCNE1 642/4885CDK2 677/4885

“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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