SCHEMBL25328161

SCHEMBL25328161

O=C(N1CC2(CC(c3nnc(C4CC4)[nH]3)C2)C1)N1CC2(CN(Cc3ccc(F)cc3C(F)(F)F)C2)C1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ GPR183 P32249 3/20 0.47
▸ P2RX7 Q99572 11/20 0.36
▸ MGLL Q99685 2/20 0.36
▸ FAAH O00519 2/20 0.36
▸ ACHE P22303 1/20 0.36
▸ CHRM1 P11229 1/20 0.35
▸ DRD2 P14416 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
SCHEMBL25326091 0.89 ALDH1A1 (0.39) GPR183
SCHEMBL25325924 0.88 MGLL (0.44) GPR183P2RX7MGLL
SCHEMBL25324066 0.86 P2RX7 (0.39) GPR183P2RX7
SCHEMBL25325519 0.85 MAPT (0.39) GPR183
SCHEMBL25323578 0.81 EPHX2 (0.42) GPR183MGLL
SCHEMBL25324805 0.81 MGLL (0.33) GPR183MGLL
SCHEMBL30945223 0.80 MGLL (0.57) GPR183P2RX7MGLLFAAH
SCHEMBL30700457 0.79 GPR183 (0.46) GPR183P2RX7MGLLFAAHACHE
SCHEMBL25325093 0.79 MGLL (0.35) MGLL
SCHEMBL30553167 0.79 MGLL (0.35) 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 GPR183 741/4885P2RX7 216/4885MGLL 3523/4885

“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