SCHEMBL25325023

SCHEMBL25325023

O=C(N1CC(NCc2ccc(C(F)(F)F)cc2F)C1)N1CC2(CC(c3nnc(C4(O)CC4)[nH]3)C2)C1

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 4/20 0.35
▸ ATXN2 Q99700 4/20 0.35
▸ MGLL Q99685 4/20 0.34
▸ TEAD1 P28347 2/20 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
SCHEMBL25325835 0.90 MGLL (0.37) ENPP2ATXN2MGLLTEAD1
SCHEMBL25325418 0.88 MGLL (0.36) ENPP2ATXN2MGLLTEAD1
SCHEMBL25326619 0.86 MGLL (0.39) ENPP2ATXN2MGLL
SCHEMBL30553308 0.86 ENPP2 (0.39) ENPP2ATXN2MGLL
SCHEMBL25324564 0.84 ENPP2 (0.38) ENPP2ATXN2MGLL
SCHEMBL25322265 0.83 POLB (0.39) ENPP2ATXN2MGLLTEAD1
SCHEMBL25325226 0.81 FAAH (0.38) MGLLTEAD1
SCHEMBL25324075 0.79 P2RX7 (0.37) MGLLTEAD1
SCHEMBL25325838 0.79 PDE2A (0.39) TEAD1
SCHEMBL31532366 0.78 MGLL (0.38) ENPP2ATXN2MGLL

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.

Send feedback