SCHEMBL25326299

SCHEMBL25326299

O=C(N1CC2(CC(c3nnc(C4CC4)[nH]3)C2)C1)N1CC2(C1)CN(S(=O)(=O)c1cccc(C(F)(F)F)c1)C2

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 1/20 0.46
▸ CACNA1B Q00975 3/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ LMNA P02545 2/20 0.42
▸ AKR1C3 P42330 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ HTT P42858 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ GALK1 P51570 1/20 0.38

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
SCHEMBL25325415 0.89 CACNA1B (0.42) CNR1CACNA1BL3MBTL1LMNAAKR1C3
SCHEMBL25324457 0.89 GAA (0.39) CNR1AKR1C3GAAKMT2AMEN1
SCHEMBL25328257 0.87 CNR1 (0.40) CNR1CACNA1BL3MBTL1AKR1C3KMT2A
SCHEMBL30553318 0.87 CNR1 (0.36) CNR1CACNA1BL3MBTL1AKR1C3
SCHEMBL25324071 0.87 CNR1 (0.36) CNR1CACNA1BL3MBTL1AKR1C3
SCHEMBL25327398 0.87 AKR1C3 (0.44) CACNA1BAKR1C3KMT2ACYP2C19
SCHEMBL25322969 0.86 HDAC8 (0.42) CNR1AKR1C3KMT2AMEN1SMN1; SMN2
SCHEMBL25326395 0.85 CACNA1B (0.35) CACNA1BKMT2AMEN1SMN1; SMN2
SCHEMBL25324275 0.84 HDAC8 (0.41) CNR1AKR1C3GAAKMT2AMEN1
SCHEMBL25324441 0.84 AKR1C3 (0.42) CNR1CACNA1BLMNAAKR1C3KMT2A

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 CNR1 32/4885CACNA1B 1778/4885L3MBTL1 2121/4885

“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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