SCHEMBL25324828

SCHEMBL25324828

O=C(N1CC2(CC(Cc3ccc(F)cc3F)C2)C1)N1CC2(CC(c3nnc(C4CC4)[nH]3)C2)C1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 5/20 0.40
▸ GPR6 P46095 8/20 0.36
▸ HTR2A P28223 2/20 0.35
▸ HTR2C P28335 2/20 0.35
▸ MAPT P10636 2/20 0.34
▸ CCR4 P51679 1/20 0.33
▸ THRB P10828 1/20 0.33
▸ GRIN2B Q13224 1/20 0.33

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
SCHEMBL25325656 0.89 MGLL (0.44) MGLL
SCHEMBL25325924 0.89 MGLL (0.44) MGLL
SCHEMBL25326162 0.88 MGLL (0.36) MGLLGPR6HTR2AHTR2CMAPT
SCHEMBL25326091 0.87 ALDH1A1 (0.39) GPR6MAPTCCR4THRBGRIN2B
SCHEMBL25326291 0.87 MGLL (0.37) MGLL
SCHEMBL25326841 0.87 MGLL (0.37) MGLL
SCHEMBL25326023 0.84 MGLL (0.35) MGLL
SCHEMBL25325519 0.83 MAPT (0.39) GPR6MAPTCCR4THRBGRIN2B
SCHEMBL25327281 0.83 MGLL (0.40) MGLL
SCHEMBL27139040 0.83 MGLL (0.36) MGLLGPR6HTR2AHTR2CGRIN2B

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 3523/4885GPR6 1648/4885HTR2A 270/4885

“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.

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