SCHEMBL25326001

SCHEMBL25326001

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

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.35
▸ MGLL Q99685 3/20 0.35
▸ EPHX2 P34913 2/20 0.34
▸ AKR1C3 P42330 1/20 0.34
▸ TP53 P04637 2/20 0.34
▸ MDM2 Q00987 2/20 0.34
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ PSEN1 P49768 3/20 0.33
▸ PSEN2 P49810 3/20 0.33
▸ APH1B Q8WW43 3/20 0.33
▸ NCSTN Q92542 3/20 0.33
▸ APH1A Q96BI3 3/20 0.33
▸ PSENEN Q9NZ42 3/20 0.33
▸ CCR6 P51684 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33

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 0.90 CACNA1B (0.42) GAAMGLLAKR1C3MEN1KMT2A
SCHEMBL25326017 0.89 MEN1 (0.40) EPHX2AKR1C3MEN1KMT2A
SCHEMBL25324457 0.88 GAA (0.39) GAAMGLLEPHX2AKR1C3MEN1
SCHEMBL25325553 0.84 KMT2A (0.39) EPHX2AKR1C3TP53MDM2MEN1
SCHEMBL25327453 0.82 CCR1 (0.34) MGLLEPHX2MEN1KMT2AALDH1A1
SCHEMBL25324983 0.82 AKR1C3 (0.39) MGLLAKR1C3MEN1KMT2A
SCHEMBL25325438 0.80 CHRM1 (0.40) MGLLAKR1C3
SCHEMBL25323450 0.80 MGLL (0.35) MGLLEPHX2
SCHEMBL25918770 0.78 CHRNA7 (0.41) MGLL
SCHEMBL25327491 0.78 MGLL (0.40) MGLLEPHX2

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 GAA 2950/4885MGLL 3523/4885EPHX2 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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