SCHEMBL25324325

SCHEMBL25324325

CS(=O)(=O)c1ccc(Cl)cc1OC1CCC2(CC1)CN(C(=O)N1CC3(CC(c4nnc(C5CC5)[nH]4)C3)C1)C2

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 1/20 0.38
▸ ENPP2 Q13822 1/20 0.35
▸ ATXN2 Q99700 1/20 0.35
▸ AVPR1A P37288 7/20 0.34
▸ OXTR P30559 2/20 0.34
▸ FPR2 P25090 2/20 0.33
▸ PROKR1 Q8TCW9 2/20 0.33
▸ HRH1 P35367 3/20 0.33
▸ CCR3 P51677 3/20 0.33
▸ SCN9A Q15858 4/20 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
SCHEMBL30553154 1.00 EPHX2 (0.38) EPHX2ENPP2ATXN2AVPR1AOXTR
SCHEMBL25324849 0.85 SCN9A (0.36) EPHX2SCN9A
SCHEMBL25324615 0.82 ENPP2 (0.39) ENPP2ATXN2AVPR1AOXTR
SCHEMBL30700515 0.81 EPHX2 (0.38) EPHX2ENPP2ATXN2FPR2PROKR1
SCHEMBL25326047 0.79 ENPP2 (0.39) ENPP2ATXN2AVPR1AOXTR
SCHEMBL25325397 0.79 CHRM4 (0.34) AVPR1AOXTR
SCHEMBL30409744 0.78 MGLL (0.40) EPHX2
SCHEMBL25145744 0.78 MGLL (0.40) EPHX2
SCHEMBL25326743 0.78 ENPP2 (0.43) EPHX2ENPP2ATXN2AVPR1AOXTR
SCHEMBL25325348 0.77 ABHD6 (0.40) —

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 4 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
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
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 292/4885ENPP2 3934/4885ATXN2 1263/4885

“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.

Send feedback