SCHEMBL25324331

SCHEMBL25324331

O=C(N1CC2(CC(c3nnc(C4CC4)[nH]3)C2)C1)N1CC2(CCN(Cc3ccc(C(F)(F)F)cn3)C2)C1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 6/20 0.37
▸ TEAD1 P28347 1/20 0.37
▸ CYP3A4 P08684 7/20 0.37
▸ TSHR P16473 7/20 0.37
▸ CYP2D6 P10635 6/20 0.37
▸ USP2 O75604 6/20 0.37
▸ HIF1A Q16665 2/20 0.37
▸ CYP2C9 P11712 2/20 0.37
▸ CYP2C19 P33261 2/20 0.37
▸ CYP1A2 P05177 3/20 0.36
▸ PPARG P37231 1/20 0.36
▸ PPARD Q03181 1/20 0.36
▸ PPARA Q07869 1/20 0.36
▸ PRCP P42785 1/20 0.36
▸ KCNH2 Q12809 1/20 0.36
▸ GPR119 Q8TDV5 1/20 0.36
▸ FAAH O00519 1/20 0.35
▸ CASP1 P29466 1/20 0.35
▸ CASP7 P55210 1/20 0.35

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
SCHEMBL25325624 0.96 TEAD1 (0.39) MGLLTEAD1CYP3A4TSHRCYP2D6
SCHEMBL25325597 0.93 TEAD1 (0.37) MGLLTEAD1HIF1APPARGPPARD
SCHEMBL25324756 0.91 PPARG (0.41) MGLLTEAD1HIF1APPARGPPARD
SCHEMBL30553289 0.87 CYP3A4 (0.35) MGLLCYP3A4TSHRCYP2D6USP2
SCHEMBL25325523 0.87 CYP3A4 (0.35) MGLLCYP3A4TSHRCYP2D6USP2
SCHEMBL30553148 0.86 CYP3A4 (0.35) MGLLCYP3A4TSHRCYP2D6USP2
SCHEMBL25323520 0.86 CYP3A4 (0.35) MGLLCYP3A4TSHRCYP2D6USP2
SCHEMBL25325658 0.86 MGLL (0.45) MGLL
SCHEMBL25324506 0.85 MGLL (0.40) MGLL
SCHEMBL25326703 0.84 MGLL (0.41) 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 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 3390/4885CYP3A4 3/4885

“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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