SCHEMBL25326017

SCHEMBL25326017

O=C(N1CC2(CC(c3nnc(C4(O)CC4)[nH]3)C2)C1)N1CC2(C1)CN(S(=O)(=O)c1ccc(OC(F)(F)F)cc1)C2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ DPP4 P27487 1/20 0.39
▸ HDAC3 O15379 2/20 0.37
▸ HDAC4 P56524 2/20 0.37
▸ HDAC1 Q13547 2/20 0.37
▸ HDAC7 Q8WUI4 2/20 0.37
▸ HDAC2 Q92769 2/20 0.37
▸ HDAC10 Q969S8 2/20 0.37
▸ HDAC11 Q96DB2 2/20 0.37
▸ HDAC8 Q9BY41 2/20 0.37
▸ HDAC6 Q9UBN7 2/20 0.37
▸ HDAC9 Q9UKV0 2/20 0.37
▸ HDAC5 Q9UQL6 2/20 0.37
▸ EPHX2 P34913 4/20 0.36
▸ AKR1C3 P42330 1/20 0.36
▸ ENPP2 Q13822 2/20 0.36
▸ ATXN2 Q99700 2/20 0.36
▸ BRS3 P32247 2/20 0.35
▸ EPHX1 P07099 2/20 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
SCHEMBL25324983 0.90 AKR1C3 (0.39) MEN1KMT2AAKR1C3ENPP2ATXN2
SCHEMBL25326001 0.89 GAA (0.35) MEN1KMT2AEPHX2AKR1C3
SCHEMBL25325330 0.89 DPP4 (0.42) MEN1KMT2ADPP4HDAC3HDAC4
SCHEMBL25323642 0.87 MEN1 (0.43) MEN1KMT2ADPP4HDAC3HDAC4
SCHEMBL25325438 0.85 CHRM1 (0.40) AKR1C3LIPE
SCHEMBL25325415 0.82 CACNA1B (0.42) MEN1KMT2AAKR1C3
SCHEMBL25325553 0.80 KMT2A (0.39) MEN1KMT2AEPHX2AKR1C3
SCHEMBL25325303 0.79 MGLL (0.37) EPHX2ENPP2ATXN2
SCHEMBL25327398 0.79 AKR1C3 (0.44) KMT2AEPHX2AKR1C3LIPE
SCHEMBL30553232 0.77 MGLL (0.38) LIPE

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 MEN1 2422/4885KMT2A 1346/4885DPP4 2629/4885

“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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