SCHEMBL30409338

SCHEMBL30409338

O=C1COCC2(CN(C(=O)N3CC4(C3)CN(S(=O)(=O)c3cccc(OC(F)(F)F)c3)C4)C2)N1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKR1C3 P42330 3/20 0.40
▸ SCN9A Q15858 1/20 0.38
▸ MGLL Q99685 2/20 0.36
▸ ABHD6 Q9BV23 1/20 0.36
▸ OPRL1 P41146 1/20 0.34
▸ KDM2B Q8NHM5 1/20 0.33
▸ BRAF P15056 1/20 0.33
▸ DDB1 Q16531 1/20 0.33
▸ CRBN Q96SW2 1/20 0.33
▸ PKLR P30613 1/20 0.33
▸ NAMPT P43490 1/20 0.33
▸ PPARG P37231 1/20 0.33
▸ PPARD Q03181 1/20 0.33
▸ PPARA Q07869 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ PGAM1 P18669 1/20 0.33
▸ USP9X Q93008 1/20 0.33
▸ KAT6A Q92794 1/20 0.32
▸ CACNA1B Q00975 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
SCHEMBL25146099 0.91 SCN9A (0.44) AKR1C3SCN9AMGLLMEN1KMT2A
SCHEMBL30409945 0.88 MGLL (0.48) AKR1C3SCN9AMGLLABHD6OPRL1
SCHEMBL30408465 0.87 SCN9A (0.41) AKR1C3SCN9AMGLLABHD6OPRL1
SCHEMBL25145889 0.79 MGLL (0.48) AKR1C3SCN9AMGLLPKLRMEN1
SCHEMBL25146248 0.79 SCN9A (0.47) AKR1C3SCN9AMGLLPKLRMEN1
SCHEMBL25255840 0.78 SCN9A (0.46) AKR1C3SCN9AMGLLABHD6KDM2B
SCHEMBL30409598 0.77 MGLL (0.41) AKR1C3MGLLMEN1KMT2A
SCHEMBL30408615 0.75 DPP4 (0.41) AKR1C3SCN9AMGLLMEN1KMT2A
SCHEMBL25292247 0.75 MGLL (0.45) AKR1C3SCN9AMGLLABHD6KDM2B
SCHEMBL30488780 0.75 MGLL (0.45) AKR1C3SCN9AMGLLABHD6KDM2B

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4416154-A1 HETEROCYCLIC COMPOUNDS F. Hoffmann-La Roche AG (CH) 2024-08-21 — — EP claimed
CN-118103374-A Heterocyclic compounds 豪夫迈·罗氏有限公司 2024-05-28 — — CN claimed
WO-2023062049-A1 HETEROCYCLIC COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2023-04-20 — — WO claimed
US-20240383904-A1 HETEROCYCLIC COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2024-11-21 — — US disclosed
EP-4416154-A1 HETEROCYCLIC COMPOUNDS F. Hoffmann-La Roche AG (CH) 2024-08-21 — — EP disclosed
CN-118103374-A Heterocyclic compounds 豪夫迈·罗氏有限公司 2024-05-28 — — CN disclosed
WO-2023062049-A1 HETEROCYCLIC COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2023-04-20 — — 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-20240383904-A1 HETEROCYCLIC COMPOUNDS MAGI3, MAG, MAGT1 AKR1C3 1252/4885SCN9A 2254/4885MGLL 5/4885

“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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