SCHEMBL25326927

SCHEMBL25326927

O=C(N1CC(N(Cc2ccc(C(F)(F)F)cc2F)C2CC2)C1)N1CC2(CC(c3nnc(C4CC4)[nH]3)C2)C1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ SLC6A4 P31645 3/20 0.40
▸ ENPP2 Q13822 3/20 0.38
▸ ATXN2 Q99700 3/20 0.38
▸ MGLL Q99685 7/20 0.37
▸ SLC6A2 P23975 2/20 0.35
▸ SLC6A3 Q01959 2/20 0.35
▸ PDE2A O00408 2/20 0.33
▸ RORC P51449 2/20 0.33
▸ HTR2A P28223 2/20 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
SCHEMBL25324718 0.88 SLC6A4 (0.40) SLC6A4ENPP2ATXN2MGLLSLC6A2
SCHEMBL25325656 0.84 MGLL (0.44) SLC6A4ENPP2ATXN2MGLLSLC6A2
SCHEMBL25324545 0.84 ENPP2 (0.41) SLC6A4ENPP2ATXN2MGLLPDE2A
SCHEMBL25325835 0.84 MGLL (0.37) SLC6A4ENPP2ATXN2MGLLPDE2A
SCHEMBL25324564 0.82 ENPP2 (0.38) SLC6A4ENPP2ATXN2MGLLPDE2A
SCHEMBL25323714 0.81 ENPP2 (0.43) ENPP2ATXN2MGLL
SCHEMBL25326498 0.81 PDE2A (0.38) ENPP2ATXN2MGLLPDE2A
SCHEMBL25325418 0.81 MGLL (0.36) SLC6A4ENPP2ATXN2MGLLPDE2A
SCHEMBL25325964 0.79 CHRNA7 (0.46) ENPP2ATXN2MGLLPDE2A
SCHEMBL25322265 0.79 POLB (0.39) ENPP2ATXN2MGLLPDE2A

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 SLC6A4 609/4885ENPP2 3934/4885ATXN2 1263/4885

“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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