SCHEMBL25326080

SCHEMBL25326080

O=C(N1CC2(CC(c3nnc(C4CC4)[nH]3)C2)C1)N1CC2(CN(Cc3ccc(S(=O)(=O)C(F)(F)F)cc3)C2)C1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 4/20 0.40
▸ TEAD1 P28347 1/20 0.38
▸ USP2 O75604 4/20 0.33
▸ CYP2C19 P33261 3/20 0.33
▸ CYP1A2 P05177 2/20 0.33
▸ CYP3A4 P08684 2/20 0.33
▸ CYP2C9 P11712 2/20 0.33
▸ CYP2D6 P10635 2/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ SMYD3 Q9H7B4 4/20 0.32
▸ PTGDR2 Q9Y5Y4 1/20 0.32
▸ RORC P51449 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ CTSS P25774 1/20 0.31
▸ KCNH2 Q12809 1/20 0.31
▸ GPR119 Q8TDV5 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ GPR183 P32249 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
SCHEMBL25325319 0.92 TEAD1 (0.41) MGLLTEAD1USP2CYP2C19CYP1A2
SCHEMBL25325975 0.88 LMNA (0.37) CYP2C19CYP3A4CYP2C9CYP2D6SMYD3
SCHEMBL25327992 0.86 MGLL (0.42) MGLLSMN1; SMN2RORCKCNH2
SCHEMBL25325824 0.84 MGLL (0.35) MGLLTEAD1USP2CYP2C19CYP1A2
SCHEMBL25324021 0.84 MGLL (0.38) MGLLTEAD1
SCHEMBL25324952 0.84 MGLL (0.42) MGLLSMN1; SMN2RORC
SCHEMBL25327471 0.83 MGLL (0.34) MGLLTEAD1USP2CYP2C19CYP1A2
SCHEMBL25324631 0.83 MGLL (0.34) MGLLTEAD1USP2CYP2C19CYP1A2
SCHEMBL25325093 0.81 MGLL (0.35) MGLLUSP2CYP2C19CYP1A2CYP3A4
SCHEMBL30553167 0.81 MGLL (0.35) MGLLUSP2CYP2C19CYP1A2CYP3A4

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 3523/4885TEAD1 3390/4885USP2 3639/4885

“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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