SCHEMBL25325415

SCHEMBL25325415

O=C(N1CC2(CC(c3nnc(C4(O)CC4)[nH]3)C2)C1)N1CC2(C1)CN(S(=O)(=O)c1cccc(C(F)(F)F)c1)C2

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CACNA1B Q00975 3/20 0.42
▸ CNR1 P21554 1/20 0.41
▸ LMNA P02545 2/20 0.39
▸ GAA P10253 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ AKR1C3 P42330 1/20 0.37
▸ HTT P42858 2/20 0.37
▸ KMT2A Q03164 3/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ MEN1 O00255 2/20 0.35
▸ POLB P06746 1/20 0.35
▸ MGLL Q99685 1/20 0.35
▸ ABHD6 Q9BV23 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP2C19 P33261 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
SCHEMBL25326001 0.90 GAA (0.35) GAAAKR1C3KMT2AMEN1MGLL
SCHEMBL25326299 0.89 CNR1 (0.46) CACNA1BCNR1LMNAGAAL3MBTL1
SCHEMBL25324983 0.88 AKR1C3 (0.39) CACNA1BAKR1C3KMT2AMEN1MGLL
SCHEMBL25323491 0.84 ALDH1A1 (0.41) GAAL3MBTL1HTTSMN1; SMN2POLB
SCHEMBL25325553 0.83 KMT2A (0.39) LMNAAKR1C3HTTKMT2AMEN1
SCHEMBL25326017 0.82 MEN1 (0.40) AKR1C3KMT2AMEN1
SCHEMBL25325438 0.79 CHRM1 (0.40) AKR1C3MGLLABHD6
SCHEMBL25324457 0.78 GAA (0.39) CNR1GAAAKR1C3KMT2AMEN1
SCHEMBL25324071 0.77 CNR1 (0.36) CACNA1BCNR1L3MBTL1AKR1C3MGLL
SCHEMBL25328257 0.77 CNR1 (0.40) CACNA1BCNR1L3MBTL1AKR1C3KMT2A

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 1778/4885CNR1 32/4885LMNA 3406/4885

“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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