SCHEMBL25328261

SCHEMBL25328261

CS(=N)(=O)c1ccc(CC2CC3(C2)CN(C(=O)N2CC4(CC(c5nnc(C6CC6)[nH]5)C4)C2)C3)cc1

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 6/20 0.36
▸ GPBAR1 Q8TDU6 1/20 0.33
▸ CCR5 P51681 1/20 0.32
▸ CYP11B1 P15538 1/20 0.30
▸ CYP11B2 P19099 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
SCHEMBL25326672 0.92 CCR5 (0.38) MGLLGPBAR1CCR5
SCHEMBL25327267 0.89 MGLL (0.36) MGLL
SCHEMBL25325852 0.89 MGLL (0.39) MGLLGPBAR1
SCHEMBL25325631 0.89 MGLL (0.39) MGLLGPBAR1
SCHEMBL25325626 0.89 MGLL (0.39) MGLLGPBAR1
SCHEMBL25328128 0.89 GPBAR1 (0.37) MGLLGPBAR1CCR5
SCHEMBL25325132 0.87 CCR5 (0.38) MGLLGPBAR1CCR5
SCHEMBL25325054 0.83 MGLL (0.37) MGLL
SCHEMBL25326033 0.83 MGLL (0.37) MGLLCCR5
SCHEMBL25325182 0.82 MGLL (0.39) MGLLGPBAR1CYP11B1CYP11B2

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 3523/4885GPBAR1 788/4885CCR5 98/4885

“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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