SCHEMBL25324756

SCHEMBL25324756

O=C(N1CCN(Cc2ccc(C(F)(F)F)cn2)CC1)N1CC2(CC(c3nnc(C4CC4)[nH]3)C2)C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 1/20 0.41
▸ PPARD Q03181 1/20 0.41
▸ PPARA Q07869 1/20 0.41
▸ TEAD1 P28347 1/20 0.40
▸ KCNH2 Q12809 2/20 0.38
▸ GPR119 Q8TDV5 1/20 0.38
▸ MGLL Q99685 5/20 0.37
▸ HIF1A Q16665 2/20 0.37
▸ EPAS1 Q99814 2/20 0.37
▸ CHRM2 P08172 1/20 0.37
▸ CHRM1 P11229 1/20 0.37
▸ PIK3CA P42336 1/20 0.37
▸ PRKAA2 P54646 1/20 0.37
▸ SCN9A Q15858 1/20 0.35
▸ PRCP P42785 1/20 0.35
▸ MCHR1 Q99705 1/20 0.35
▸ FAAH O00519 1/20 0.34
▸ JAK2 O60674 1/20 0.34
▸ JAK1 P23458 1/20 0.34
▸ TYK2 P29597 1/20 0.34

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 0.94 TEAD1 (0.39) PPARGPPARDPPARATEAD1KCNH2
SCHEMBL25325597 0.93 TEAD1 (0.37) PPARGPPARDPPARATEAD1KCNH2
SCHEMBL25324331 0.91 MGLL (0.37) PPARGPPARDPPARATEAD1KCNH2
SCHEMBL25325658 0.87 MGLL (0.45) MGLL
SCHEMBL25324506 0.85 MGLL (0.40) MGLLSCN9A
SCHEMBL25326703 0.84 MGLL (0.41) MGLL
SCHEMBL25324097 0.84 MGLL (0.42) MGLL
SCHEMBL25325530 0.82 PPARD (0.42) PPARDKCNH2GPR119MGLLCHRM2
SCHEMBL30553276 0.82 PPARD (0.42) PPARDKCNH2GPR119MGLLCHRM2
SCHEMBL25327779 0.81 LMNA (0.45) —

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 PPARG 3387/4885PPARD 3422/4885PPARA 3692/4885

“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.

Send feedback