SCHEMBL25324805

SCHEMBL25324805

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

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 5/20 0.33
▸ CYP2D6 P10635 6/20 0.32
▸ TSHR P16473 2/20 0.32
▸ USP2 O75604 5/20 0.32
▸ HPGD P15428 3/20 0.32
▸ SIGMAR1 Q99720 1/20 0.32
▸ CYP3A4 P08684 4/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ SSTR5 P35346 1/20 0.31
▸ GPR183 P32249 1/20 0.31
▸ CYP2C9 P11712 2/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ CYP1A2 P05177 2/20 0.30
▸ CYP2C19 P33261 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
SCHEMBL25326091 0.84 ALDH1A1 (0.39) SIGMAR1SMN1; SMN2GPR183ALDH1A1
SCHEMBL25325902 0.83 MGLL (0.33) MGLL
SCHEMBL25325166 0.82 MGLL (0.38) MGLLCYP2D6TSHRUSP2HPGD
SCHEMBL25328161 0.81 GPR183 (0.47) MGLLGPR183
SCHEMBL25325519 0.80 MAPT (0.39) SMN1; SMN2GPR183ALDH1A1
SCHEMBL25325975 0.80 LMNA (0.37) CYP2D6CYP3A4CYP2C9ALDH1A1CYP2C19
SCHEMBL25326080 0.79 MGLL (0.40) MGLLCYP2D6TSHRUSP2CYP3A4
SCHEMBL25326481 0.78 MGLL (0.39) MGLL
SCHEMBL30553145 0.78 MGLL (0.39) MGLL
SCHEMBL25324763 0.78 MGLL (0.41) MGLLCYP2D6TSHRUSP2HPGD

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 3523/4885CYP2D6 12/4885TSHR 630/4885

“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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