SCHEMBL25325658

SCHEMBL25325658

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 11/20 0.45
▸ HCRTR1 O43613 2/20 0.37
▸ EPHX2 P34913 1/20 0.34
▸ LIPE Q05469 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ ABL1 P00519 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ CCNE1 P24864 1/20 0.33
▸ CDK2 P24941 1/20 0.33
▸ KMT2A Q03164 1/20 0.32
▸ ADAM10 O14672 1/20 0.32
▸ MMP1 P03956 1/20 0.32
▸ MMP2 P08253 1/20 0.32
▸ MMP3 P08254 1/20 0.32
▸ MMP7 P09237 1/20 0.32
▸ MMP9 P14780 1/20 0.32
▸ MMP8 P22894 1/20 0.32
▸ MMP12 P39900 1/20 0.32
▸ MMP14 P50281 1/20 0.32
▸ ADAM17 P78536 1/20 0.32

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
SCHEMBL25324097 0.96 MGLL (0.42) MGLLHCRTR1EPHX2LIPE
SCHEMBL25326703 0.94 MGLL (0.41) MGLLHCRTR1EPHX2LIPECCNE1
SCHEMBL25324506 0.94 MGLL (0.40) MGLLHCRTR1EPHX2LIPECCNE1
SCHEMBL25325597 0.89 TEAD1 (0.37) MGLLHCRTR1KDM4EABL1LMNA
SCHEMBL25323891 0.88 MGLL (0.46) MGLL
SCHEMBL25327491 0.88 MGLL (0.40) MGLLHCRTR1EPHX2ADAM10MMP1
SCHEMBL25326350 0.87 MGLL (0.38) MGLLHCRTR1EPHX2KDM4EABL1
SCHEMBL25325125 0.87 MGLL (0.41) MGLL
SCHEMBL25324756 0.87 PPARG (0.41) MGLL
SCHEMBL25325570 0.86 MGLL (0.41) MGLLEPHX2

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 3523/4885HCRTR1 41/4885EPHX2 292/4885

“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