SCHEMBL25326743

SCHEMBL25326743

CS(=O)(=O)c1cc(Cl)ccc1CC1CC2(CCN(C(=O)N3CC4(CC(c5nnc(C6CC6)[nH]5)C4)C3)C2)C1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 4/20 0.43
▸ ATXN2 Q99700 4/20 0.43
▸ MGLL Q99685 5/20 0.33
▸ EPHX2 P34913 1/20 0.33
▸ AVPR1A P37288 4/20 0.33
▸ FPR2 P25090 2/20 0.32
▸ PROKR1 Q8TCW9 2/20 0.32
▸ OXTR P30559 1/20 0.32
▸ GPR119 Q8TDV5 1/20 0.32

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
SCHEMBL25326047 0.88 ENPP2 (0.39) ENPP2ATXN2MGLLAVPR1AOXTR
SCHEMBL25326841 0.85 MGLL (0.37) ENPP2ATXN2MGLLGPR119
SCHEMBL25324615 0.83 ENPP2 (0.39) ENPP2ATXN2AVPR1AOXTR
SCHEMBL25324956 0.83 MGLL (0.41) MGLL
SCHEMBL25326023 0.82 MGLL (0.35) MGLLGPR119
SCHEMBL30700209 0.79 ENPP2 (0.41) ENPP2ATXN2EPHX2GPR119
SCHEMBL25326291 0.78 MGLL (0.37) MGLLFPR2PROKR1GPR119
SCHEMBL25324325 0.78 EPHX2 (0.38) ENPP2ATXN2EPHX2AVPR1AFPR2
SCHEMBL30553154 0.78 EPHX2 (0.38) ENPP2ATXN2EPHX2AVPR1AFPR2
SCHEMBL25325289 0.77 OPRL1 (0.40) ENPP2ATXN2MGLLEPHX2AVPR1A

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 ENPP2 3934/4885ATXN2 1263/4885MGLL 3523/4885

“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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