SCHEMBL25327528

SCHEMBL25327528

O=C(N1CC2(CCN(S(=O)(=O)c3ccc(C(F)(F)F)cc3F)CC2)C1)N1CC2(CC(c3nnc(C4CC4)[nH]3)C2)C1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CACNA1B Q00975 3/20 0.40
▸ CYP2C9 P11712 2/20 0.37
▸ CNR2 P34972 2/20 0.37
▸ ENPP2 Q13822 3/20 0.37
▸ ATXN2 Q99700 3/20 0.37
▸ TRPV4 Q9HBA0 2/20 0.36
▸ PDE2A O00408 2/20 0.36
▸ PKM P14618 2/20 0.36
▸ EPHX2 P34913 1/20 0.35
▸ MGLL Q99685 3/20 0.35
▸ CA2 P00918 1/20 0.35
▸ CNR1 P21554 1/20 0.35
▸ PLA2G1B P04054 1/20 0.35
▸ ATG4B Q9Y4P1 1/20 0.35

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
SCHEMBL25324766 0.82 PDE2A (0.36) TRPV4PDE2AMGLL
SCHEMBL25323714 0.82 ENPP2 (0.43) CYP2C9ENPP2ATXN2MGLL
SCHEMBL25326498 0.82 PDE2A (0.38) ENPP2ATXN2PDE2AMGLL
SCHEMBL25326196 0.81 AKR1C3 (0.39) PKM
SCHEMBL30700445 0.80 CACNA1B (0.38) CACNA1BCYP2C9CNR2ENPP2ATXN2
SCHEMBL25253376 0.79 CACNA1B (0.48) CACNA1BCYP2C9CNR2TRPV4PKM
SCHEMBL25324457 0.78 GAA (0.39) TRPV4EPHX2MGLLCNR1
SCHEMBL25323578 0.78 EPHX2 (0.42) CACNA1BTRPV4PDE2APKMEPHX2
SCHEMBL31308002 0.78 EPHX2 (0.42) CACNA1BCYP2C9CNR2TRPV4EPHX2
SCHEMBL25325656 0.78 MGLL (0.44) ENPP2ATXN2PDE2AMGLL

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 CACNA1B 1778/4885CYP2C9 4/4885CNR2 53/4885

“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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