SCHEMBL25323642

SCHEMBL25323642

O=C(N1CC2(CC(c3nnc(C4CCC4)[nH]3)C2)C1)N1CC2(C1)CN(S(=O)(=O)c1ccc(OC(F)(F)F)cc1)C2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ EPHX2 P34913 3/20 0.42
▸ DPP4 P27487 1/20 0.41
▸ AKR1C3 P42330 1/20 0.40
▸ HDAC3 O15379 2/20 0.38
▸ HDAC4 P56524 2/20 0.38
▸ HDAC1 Q13547 2/20 0.38
▸ HDAC7 Q8WUI4 2/20 0.38
▸ HDAC2 Q92769 2/20 0.38
▸ HDAC10 Q969S8 2/20 0.38
▸ HDAC11 Q96DB2 2/20 0.38
▸ HDAC8 Q9BY41 2/20 0.38
▸ HDAC6 Q9UBN7 2/20 0.38
▸ HDAC9 Q9UKV0 2/20 0.38
▸ HDAC5 Q9UQL6 2/20 0.38
▸ LIPE Q05469 1/20 0.38
▸ EPHX1 P07099 2/20 0.38
▸ SCN9A Q15858 1/20 0.37
▸ HTR2B P41595 1/20 0.37

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
SCHEMBL25325330 0.96 DPP4 (0.42) MEN1KMT2AEPHX2DPP4AKR1C3
SCHEMBL25324441 0.90 AKR1C3 (0.42) MEN1KMT2AAKR1C3LIPESCN9A
SCHEMBL25326017 0.87 MEN1 (0.40) MEN1KMT2AEPHX2DPP4AKR1C3
SCHEMBL25327398 0.86 AKR1C3 (0.44) KMT2AEPHX2AKR1C3LIPESCN9A
SCHEMBL25324457 0.84 GAA (0.39) MEN1KMT2AEPHX2AKR1C3
SCHEMBL25326454 0.80 MGLL (0.43) EPHX2DPP4SCN9AHTR2B
SCHEMBL25322792 0.80 AKR1C3 (0.42) AKR1C3LIPEHTR2BMMP13
SCHEMBL25325171 0.79 AKR1C3 (0.38) MEN1KMT2AAKR1C3HDAC6ENPP2
SCHEMBL25326395 0.79 CACNA1B (0.35) MEN1KMT2A
SCHEMBL30700856 0.78 MEN1 (0.43) MEN1KMT2AEPHX2DPP4AKR1C3

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 1346/4885EPHX2 292/4885

“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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