SCHEMBL25324419

SCHEMBL25324419

COc1cc(C(F)(F)F)ccc1COC1CN(C(=O)N2CC3(CC(c4nnc(C5CC5)[nH]4)C3)C2)C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 1/20 0.40
▸ SCN1A P35498 2/20 0.38
▸ SCN5A Q14524 2/20 0.38
▸ SCN9A Q15858 2/20 0.38
▸ PDE2A O00408 2/20 0.38
▸ RORC P51449 1/20 0.36
▸ FFAR4 Q5NUL3 1/20 0.35
▸ PROKR1 Q8TCW9 1/20 0.35
▸ FAAH O00519 1/20 0.35
▸ PTGDR2 Q9Y5Y4 1/20 0.34
▸ HTR2A P28223 1/20 0.34
▸ CFTR P13569 2/20 0.33
▸ USP2 O75604 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ TSHR P16473 2/20 0.33
▸ ENPP2 Q13822 3/20 0.33
▸ ATXN2 Q99700 3/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2D6 P10635 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
SCHEMBL25324545 0.89 ENPP2 (0.41) MGLLPDE2AFAAHENPP2ATXN2
SCHEMBL25325838 0.86 PDE2A (0.39) SCN1ASCN5ASCN9APDE2ARORC
SCHEMBL30553215 0.80 LPL (0.38) MGLLFAAHENPP2ATXN2
SCHEMBL25325591 0.80 LPL (0.38) MGLLFAAHENPP2ATXN2
SCHEMBL30553308 0.79 ENPP2 (0.39) MGLLFAAHENPP2ATXN2
SCHEMBL25324958 0.79 MGLL (0.49) MGLLFAAHALDH1A1
SCHEMBL25325078 0.79 LMNA (0.34) USP2ALDH1A1CYP1A2CYP3A4
SCHEMBL25325107 0.79 MGLL (0.40) MGLLFAAHENPP2ATXN2
SCHEMBL25325842 0.79 MGLL (0.40) MGLLFAAHENPP2ATXN2
SCHEMBL25326394 0.78 MGLL (0.36) MGLLRORCFAAHENPP2ATXN2

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 3523/4885SCN1A 681/4885SCN5A 354/4885

“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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