SCHEMBL25324987

SCHEMBL25324987

CS(=O)(=O)c1cccc(CC2CC3(C2)CN(C(=O)N2CC4(CC(c5nnc(C6CCC6)[nH]5)C4)C2)C3)c1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 2/20 0.35
▸ OPRL1 P41146 2/20 0.35
▸ MGLL Q99685 6/20 0.34
▸ DRD2 P14416 2/20 0.34
▸ GRM2 Q14416 2/20 0.33
▸ GRM3 Q14832 2/20 0.33
▸ ALOX5AP P20292 2/20 0.33
▸ FEN1 P39748 2/20 0.33
▸ DRD3 P35462 1/20 0.33
▸ CCR5 P51681 1/20 0.32
▸ CCR3 P51677 2/20 0.31
▸ ROCK2 O75116 1/20 0.31

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
SCHEMBL25326033 0.96 MGLL (0.37) OPRM1OPRL1MGLLDRD2GRM2
SCHEMBL25327267 0.89 MGLL (0.36) MGLL
SCHEMBL25328128 0.89 GPBAR1 (0.37) OPRM1OPRL1MGLLCCR5CCR3
SCHEMBL25324030 0.87 MGLL (0.33) OPRM1OPRL1MGLLDRD2GRM2
SCHEMBL25326672 0.85 CCR5 (0.38) MGLLCCR5CCR3
SCHEMBL25324843 0.85 MGLL (0.42) MGLL
SCHEMBL25324298 0.85 DRD2 (0.40) OPRM1OPRL1DRD2GRM2GRM3
SCHEMBL25325192 0.84 MGLL (0.37) MGLL
SCHEMBL30553306 0.84 MGLL (0.37) MGLL
SCHEMBL25324194 0.83 MGLL (0.37) MGLL

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 OPRM1 1/4885OPRL1 18/4885MGLL 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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