SCHEMBL25323897

SCHEMBL25323897

O=C(N1CC2(CC(c3nnc(C4(O)CC4)[nH]3)C2)C1)N1CC2(CN(Cc3ccc(F)cc3F)C2)C1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ HDAC6 Q9UBN7 1/20 0.35
▸ KDM4E B2RXH2 2/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ GRIN2B Q13224 2/20 0.34
▸ GPR183 P32249 1/20 0.34
▸ MAPT P10636 2/20 0.33
▸ CCR4 P51679 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ PDE9A O76083 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ THRB P10828 1/20 0.32
▸ CXCR3 P49682 1/20 0.32
▸ ROCK2 O75116 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
SCHEMBL25326162 0.88 MGLL (0.36) GRIN2BMAPTCCR4MEN1KMT2A
SCHEMBL25326091 0.88 ALDH1A1 (0.39) ALDH1A1TDP1HDAC6KDM4ESMN1; SMN2
SCHEMBL25325519 0.86 MAPT (0.39) ALDH1A1TDP1HDAC6KDM4ESMN1; SMN2
SCHEMBL25324573 0.80 MGLL (0.39) GPR183
SCHEMBL25326619 0.78 MGLL (0.39) —
SCHEMBL25328161 0.78 GPR183 (0.47) GPR183
SCHEMBL30553185 0.77 MGLL (0.36) —
SCHEMBL25325185 0.77 MGLL (0.36) —
SCHEMBL25324147 0.76 MGLL (0.37) —
SCHEMBL30553196 0.76 MGLL (0.37) —

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 ALDH1A1 411/4885TDP1 2538/4885HDAC6 634/4885

“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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