SCHEMBL25324998

SCHEMBL25324998

CS(=O)(=O)c1cc(C(F)(F)F)ccc1CC1CC2(C1)CN(C(=O)N1CC3(CC(c4nnc(C5(O)CC5)[nH]4)C3)C1)C2

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 9/20 0.37
▸ CACNA1B Q00975 4/20 0.36
▸ OPRM1 P35372 2/20 0.33
▸ OPRL1 P41146 2/20 0.33
▸ NR1I2 O75469 1/20 0.32
▸ TYK2 P29597 1/20 0.32
▸ GPR119 Q8TDV5 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
SCHEMBL25324956 0.90 MGLL (0.41) MGLLCACNA1BOPRM1OPRL1NR1I2
SCHEMBL25326619 0.88 MGLL (0.39) MGLLTYK2
SCHEMBL25324926 0.85 MGLL (0.38) MGLL
SCHEMBL25324897 0.84 MGLL (0.39) MGLLGPR119
SCHEMBL25324898 0.84 MGLL (0.39) MGLL
SCHEMBL25323946 0.83 MGLL (0.42) MGLLCACNA1BOPRM1OPRL1NR1I2
SCHEMBL25324573 0.81 MGLL (0.39) MGLL
SCHEMBL25327491 0.81 MGLL (0.40) MGLL
SCHEMBL31532366 0.80 MGLL (0.38) MGLLTYK2
SCHEMBL25326162 0.79 MGLL (0.36) 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 MGLL 3523/4885CACNA1B 1778/4885OPRM1 1/4885

“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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