SCHEMBL25146288

SCHEMBL25146288

O=C1CCC2(CN(C(=O)N3CC4(CCC(NS(=O)(=O)c5cccc(OC(F)(F)F)c5)CC4)C3)C2)N1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HDAC8 Q9BY41 1/20 0.43
▸ KIT P10721 1/20 0.42
▸ DDB1 Q16531 1/20 0.42
▸ CRBN Q96SW2 1/20 0.42
▸ STS P08842 1/20 0.40
▸ DPP4 P27487 6/20 0.39
▸ DPP7 Q9UHL4 6/20 0.39
▸ KCNH2 Q12809 4/20 0.39
▸ AKR1C3 P42330 1/20 0.39
▸ MGLL Q99685 3/20 0.38
▸ PKLR P30613 1/20 0.38
▸ LIPE Q05469 2/20 0.36
▸ PAX8 Q06710 1/20 0.36
▸ BRAF P15056 1/20 0.35
▸ DRD2 P14416 1/20 0.35
▸ ADRA1D P25100 1/20 0.35
▸ ADRA1A P35348 1/20 0.35
▸ ADRA1B P35368 1/20 0.35
▸ ABHD6 Q9BV23 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
SCHEMBL25146054 0.87 MGLL (0.48) HDAC8KITDDB1CRBNSTS
SCHEMBL25255089 0.83 HDAC8 (0.48) HDAC8KITDDB1CRBNSTS
SCHEMBL30409356 0.83 MGLL (0.41) HDAC8DDB1CRBNSTSAKR1C3
SCHEMBL30408465 0.83 SCN9A (0.41) DDB1CRBNAKR1C3MGLLPKLR
SCHEMBL30409546 0.82 MGLL (0.40) HDAC8DDB1CRBNSTSAKR1C3
SCHEMBL25145978 0.81 MGLL (0.46) DDB1CRBNSTSAKR1C3MGLL
SCHEMBL25145698 0.81 MGLL (0.45) DDB1CRBNSTSAKR1C3MGLL
SCHEMBL25324806 0.81 KIT (0.43) HDAC8KITDDB1CRBNSTS
SCHEMBL30700579 0.80 KIT (0.44) HDAC8KITSTSDPP4DPP7
SCHEMBL25146248 0.80 SCN9A (0.47) AKR1C3MGLLPKLR

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
EP-4416154-A1 HETEROCYCLIC COMPOUNDS F. Hoffmann-La Roche AG (CH) 2024-08-21 — — EP 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
WO-2023062049-A1 HETEROCYCLIC COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2023-04-20 — — WO 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 HDAC8 2253/4885KIT 468/4885DDB1 3870/4885

“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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