SCHEMBL25325656

SCHEMBL25325656

O=C(N1CC2(CC(Cc3ccc(C(F)(F)F)cc3F)C2)C1)N1CC2(CC(c3nnc(C4CC4)[nH]3)C2)C1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 10/20 0.44
▸ ENPP2 Q13822 3/20 0.39
▸ ATXN2 Q99700 3/20 0.39
▸ PDE2A O00408 2/20 0.36
▸ SLC6A4 P31645 2/20 0.35
▸ FFAR4 Q5NUL3 1/20 0.34
▸ JAK2 O60674 1/20 0.33
▸ JAK1 P23458 1/20 0.33
▸ TYK2 P29597 1/20 0.33
▸ JAK3 P52333 1/20 0.33
▸ SLC6A2 P23975 1/20 0.33
▸ SLC6A3 Q01959 1/20 0.33

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
SCHEMBL31532366 0.89 MGLL (0.38) MGLLENPP2ATXN2SLC6A4FFAR4
SCHEMBL25326619 0.89 MGLL (0.39) MGLLENPP2ATXN2SLC6A4FFAR4
SCHEMBL25324828 0.89 MGLL (0.40) MGLL
SCHEMBL25323501 0.88 MGLL (0.41) MGLLENPP2ATXN2PDE2AFFAR4
SCHEMBL25324956 0.87 MGLL (0.41) MGLLPDE2ATYK2
SCHEMBL25324564 0.86 ENPP2 (0.38) MGLLENPP2ATXN2PDE2ASLC6A4
SCHEMBL25323714 0.86 ENPP2 (0.43) MGLLENPP2ATXN2JAK2JAK1
SCHEMBL25326498 0.85 PDE2A (0.38) MGLLENPP2ATXN2PDE2A
SCHEMBL25325924 0.85 MGLL (0.44) MGLLSLC6A4SLC6A2
SCHEMBL25324545 0.85 ENPP2 (0.41) MGLLENPP2ATXN2PDE2ASLC6A4

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 3523/4885ENPP2 3934/4885ATXN2 1263/4885

“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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