SCHEMBL25324751

SCHEMBL25324751

O=C(N1CC2(CC(c3nnc(C4CC4)[nH]3)C2)C1)N1CC2(C1)CN(S(=O)(=O)c1ccc(F)cc1Cl)C2

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 1/20 0.41
▸ AKR1C3 P42330 2/20 0.41
▸ TP53 P04637 1/20 0.39
▸ TRPV4 Q9HBA0 3/20 0.36
▸ MGLL Q99685 2/20 0.36
▸ PTGDR2 Q9Y5Y4 2/20 0.36
▸ SPR P35270 2/20 0.35
▸ OXTR P30559 2/20 0.34
▸ FAAH O00519 1/20 0.33
▸ AVPR2 P30518 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ AKR1B1 P15121 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
SCHEMBL25326196 0.91 AKR1C3 (0.39) AKR1C3SPROXTRKMT2AAKR1B1
SCHEMBL25325111 0.88 CTSS (0.38) EPHX2AKR1C3TP53MGLLAVPR2
SCHEMBL25323578 0.87 EPHX2 (0.42) EPHX2TRPV4MGLLSPRKMT2A
SCHEMBL25325171 0.80 AKR1C3 (0.38) AKR1C3KMT2A
SCHEMBL27149324 0.80 MGLL (0.49) EPHX2AKR1C3TP53TRPV4MGLL
SCHEMBL25327912 0.79 AKR1C3 (0.40) AKR1C3KMT2A
SCHEMBL25325494 0.79 KMT2A (0.43) AKR1C3TP53KMT2A
SCHEMBL25322792 0.78 AKR1C3 (0.42) AKR1C3TP53MGLLSPR
SCHEMBL25325194 0.77 DPP4 (0.37) MGLL
SCHEMBL23850293 0.76 EPHX2 (0.47) EPHX2AKR1C3TRPV4PTGDR2SPR

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 EPHX2 292/4885AKR1C3 257/4885TP53 4481/4885

“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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