SCHEMBL25324588

SCHEMBL25324588

O=C(N1CC2(CC(c3ncn[nH]3)C2)C1)N1CC2(CC(c3ccc(C(F)(F)F)cc3F)C2)C1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PSEN1 P49768 1/20 0.36
▸ PSEN2 P49810 1/20 0.36
▸ APH1B Q8WW43 1/20 0.36
▸ NCSTN Q92542 1/20 0.36
▸ APH1A Q96BI3 1/20 0.36
▸ PSENEN Q9NZ42 1/20 0.36
▸ PIM1 P11309 1/20 0.35
▸ MGLL Q99685 6/20 0.35
▸ BTK Q06187 1/20 0.34
▸ ABHD6 Q9BV23 2/20 0.34
▸ EPHX2 P34913 2/20 0.34
▸ PHGDH O43175 1/20 0.32
▸ ENPP2 Q13822 4/20 0.32
▸ ATXN2 Q99700 4/20 0.32
▸ PAK1 Q13153 1/20 0.32
▸ PDE2A O00408 1/20 0.32
▸ GRIN1 Q05586 1/20 0.32
▸ GRIN2B Q13224 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
SCHEMBL25326498 0.84 PDE2A (0.38) MGLLABHD6ENPP2ATXN2PDE2A
SCHEMBL30700218 0.81 MGLL (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL30553237 0.81 MGLL (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL25325537 0.81 MGLL (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL25323631 0.80 MGLL (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL25325375 0.79 MGLL (0.44) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL30700423 0.78 MGLL (0.44) PIM1MGLLBTKENPP2ATXN2
SCHEMBL25323946 0.77 MGLL (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL31549762 0.77 EPHX2 (0.36) MGLLABHD6EPHX2ENPP2ATXN2
SCHEMBL30410209 0.76 MGLL (0.39) MGLLABHD6

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 PSEN1 2934/4885PSEN2 3514/4885APH1B 1070/4885

“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