SCHEMBL25323033

SCHEMBL25323033

CS(=O)(=O)c1cc(Cl)ccc1-c1ccc(C2CN(C(=O)N3CC4(CC(c5ncn[nH]5)C4)C3)C2)cc1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 1/20 0.39
▸ PTGDR2 Q9Y5Y4 4/20 0.33
▸ F10 P00742 1/20 0.32
▸ ENPP2 Q13822 1/20 0.31
▸ ATXN2 Q99700 1/20 0.31
▸ FASN P49327 9/20 0.31
▸ AVPR1A P37288 3/20 0.31
▸ OXTR P30559 1/20 0.30
▸ AKR1C3 P42330 1/20 0.30

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
SCHEMBL30700021 0.92 MGLL (0.43) MGLLPTGDR2F10FASNAKR1C3
SCHEMBL30700353 0.88 MGLL (0.50) MGLLPTGDR2FASN
SCHEMBL25326463 0.88 MGLL (0.41) MGLLPTGDR2F10ENPP2ATXN2
SCHEMBL25327045 0.87 MGLL (0.39) MGLLENPP2ATXN2FASN
SCHEMBL27140316 0.82 TRPV4 (0.39) MGLLPTGDR2F10
SCHEMBL27153177 0.82 MGLL (0.40) MGLLPTGDR2F10ENPP2ATXN2
SCHEMBL30012546 0.81 TRPV4 (0.38) MGLLPTGDR2
SCHEMBL27140114 0.81 TRPV4 (0.38) MGLLPTGDR2
SCHEMBL30012458 0.81 MGLL (0.36) MGLLPTGDR2F10AVPR1AOXTR
SCHEMBL27151838 0.81 MGLL (0.36) MGLLPTGDR2F10

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 MGLL 3523/4885PTGDR2 1018/4885F10 1170/4885

“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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