SCHEMBL25324763

SCHEMBL25324763

O=C(N1CC2(CC(Cc3cc(F)cc(C(F)(F)F)c3)C2)C1)N1CC2(CC(c3nnc(C4CC4)[nH]3)C2)C1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 9/20 0.41
▸ ENPP2 Q13822 2/20 0.40
▸ ATXN2 Q99700 2/20 0.40
▸ FFAR4 Q5NUL3 1/20 0.35
▸ CYP3A4 P08684 4/20 0.32
▸ TSHR P16473 3/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ BTK Q06187 1/20 0.32
▸ SCN9A Q15858 1/20 0.32
▸ USP2 O75604 2/20 0.31
▸ HPGD P15428 1/20 0.31
▸ CYP2D6 P10635 2/20 0.31
▸ LMNA P02545 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
SCHEMBL25325629 0.88 ENPP2 (0.38) MGLLENPP2ATXN2FFAR4CYP3A4
SCHEMBL30553291 0.88 ENPP2 (0.38) MGLLENPP2ATXN2FFAR4CYP3A4
SCHEMBL25325486 0.87 MGLL (0.39) MGLLENPP2ATXN2CYP3A4TSHR
SCHEMBL25324678 0.87 MGLL (0.42) MGLLENPP2ATXN2CYP3A4USP2
SCHEMBL30553208 0.87 MGLL (0.42) MGLLENPP2ATXN2CYP3A4USP2
SCHEMBL30553145 0.83 MGLL (0.39) MGLL
SCHEMBL25326481 0.83 MGLL (0.39) MGLL
SCHEMBL25325560 0.83 MGLL (0.38) MGLL
SCHEMBL25325656 0.82 MGLL (0.44) MGLLENPP2ATXN2FFAR4
SCHEMBL25327182 0.82 MGLL (0.46) 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 3523/4885ENPP2 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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