SCHEMBL25324545

SCHEMBL25324545

O=C(N1CC(OCc2ccc(C(F)(F)F)cc2F)C1)N1CC2(CC(c3nnc(C4CC4)[nH]3)C2)C1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 4/20 0.41
▸ ATXN2 Q99700 4/20 0.41
▸ MGLL Q99685 3/20 0.41
▸ FAAH O00519 1/20 0.36
▸ IDO1 P14902 1/20 0.36
▸ CYP11B1 P15538 1/20 0.34
▸ CYP11B2 P19099 1/20 0.34
▸ LIPG Q9Y5X9 3/20 0.34
▸ PDE2A O00408 2/20 0.34
▸ LPL P06858 2/20 0.34
▸ LIPC P11150 2/20 0.34
▸ SLC6A4 P31645 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
SCHEMBL30553308 0.90 ENPP2 (0.39) ENPP2ATXN2MGLLFAAHIDO1
SCHEMBL25324419 0.89 MGLL (0.40) ENPP2ATXN2MGLLFAAHPDE2A
SCHEMBL25325107 0.89 MGLL (0.40) ENPP2ATXN2MGLLFAAHIDO1
SCHEMBL25325842 0.89 MGLL (0.40) ENPP2ATXN2MGLLFAAHIDO1
SCHEMBL25325103 0.89 MGLL (0.40) ENPP2ATXN2MGLLFAAHIDO1
SCHEMBL25326394 0.87 MGLL (0.36) ENPP2ATXN2MGLLFAAH
SCHEMBL25325656 0.85 MGLL (0.44) ENPP2ATXN2MGLLPDE2ASLC6A4
SCHEMBL25325310 0.85 GPR119 (0.38) ENPP2ATXN2MGLLFAAH
SCHEMBL25325835 0.85 MGLL (0.37) ENPP2ATXN2MGLLPDE2ASLC6A4
SCHEMBL25326927 0.84 SLC6A4 (0.40) ENPP2ATXN2MGLLPDE2ASLC6A4

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 ENPP2 3934/4885ATXN2 1263/4885MGLL 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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