SCHEMBL25324067

SCHEMBL25324067

O=C(N1CC2(CC(Cc3ccc(OC(F)(F)F)cn3)C2)C1)N1CC2(CC(c3ncn[nH]3)C2)C1

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 5/20 0.41
▸ EPHX2 P34913 10/20 0.35
▸ KIT P10721 2/20 0.34
▸ ENPP2 Q13822 3/20 0.34
▸ ATXN2 Q99700 3/20 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
SCHEMBL30699861 0.95 MGLL (0.40) MGLLEPHX2KITENPP2ATXN2
SCHEMBL30700080 0.92 MGLL (0.40) MGLLEPHX2KIT
SCHEMBL25325570 0.86 MGLL (0.41) MGLLEPHX2KITENPP2ATXN2
SCHEMBL25325375 0.86 MGLL (0.44) MGLLEPHX2
SCHEMBL25327554 0.83 MGLL (0.39) MGLLKIT
SCHEMBL30553269 0.83 MGLL (0.39) MGLLKIT
SCHEMBL25325303 0.83 MGLL (0.37) MGLLEPHX2KITENPP2ATXN2
SCHEMBL31549771 0.81 MGLL (0.37) MGLLEPHX2ENPP2ATXN2
SCHEMBL30408423 0.79 MGLL (0.42) MGLLEPHX2ENPP2ATXN2
SCHEMBL30700373 0.78 MGLL (0.43) 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 3523/4885EPHX2 292/4885KIT 598/4885

“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