SCHEMBL25325629

SCHEMBL25325629

O=C(N1CC2(CC(Cc3cc(F)cc(C(F)(F)F)c3)C2)C1)N1CC2(CC(c3nnc(C4(O)CC4)[nH]3)C2)C1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 1/20 0.38
▸ ATXN2 Q99700 1/20 0.38
▸ MGLL Q99685 8/20 0.36
▸ FFAR4 Q5NUL3 1/20 0.33
▸ BTK Q06187 1/20 0.31
▸ USP2 O75604 4/20 0.31
▸ HPGD P15428 1/20 0.31
▸ CYP2D6 P10635 5/20 0.31
▸ CYP3A4 P08684 4/20 0.31
▸ TSHR P16473 3/20 0.31
▸ S1PR2 O95136 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ CYP2C19 P33261 1/20 0.30
▸ HIF1A Q16665 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
SCHEMBL30553291 1.00 ENPP2 (0.38) ENPP2ATXN2MGLLFFAR4BTK
SCHEMBL25324763 0.88 MGLL (0.41) ENPP2ATXN2MGLLFFAR4BTK
SCHEMBL25324163 0.85 MGLL (0.34) MGLL
SCHEMBL30553267 0.85 MGLL (0.34) MGLL
SCHEMBL25326619 0.84 MGLL (0.39) ENPP2ATXN2MGLLFFAR4
SCHEMBL25326195 0.83 MGLL (0.41) MGLL
SCHEMBL25326166 0.83 MGLL (0.41) MGLL
SCHEMBL25326958 0.83 MGLL (0.39) MGLL
SCHEMBL30553193 0.83 MGLL (0.39) MGLL
SCHEMBL25324573 0.82 MGLL (0.39) 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 4 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
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
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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