SCHEMBL30408615

SCHEMBL30408615

O=C1CCC2(CN(C(=O)N3CC4(C3)CN(S(=O)(=O)c3ccc(OC(F)(F)F)cc3)C4)C2)N1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 1/20 0.41
▸ MEN1 O00255 4/20 0.40
▸ KMT2A Q03164 4/20 0.40
▸ ENPP2 Q13822 3/20 0.40
▸ ATXN2 Q99700 3/20 0.40
▸ MGLL Q99685 1/20 0.40
▸ EPHX2 P34913 3/20 0.39
▸ HDAC3 O15379 3/20 0.38
▸ HDAC4 P56524 3/20 0.38
▸ HDAC1 Q13547 3/20 0.38
▸ HDAC7 Q8WUI4 3/20 0.38
▸ HDAC2 Q92769 3/20 0.38
▸ HDAC10 Q969S8 3/20 0.38
▸ HDAC11 Q96DB2 3/20 0.38
▸ HDAC8 Q9BY41 3/20 0.38
▸ HDAC6 Q9UBN7 3/20 0.38
▸ HDAC9 Q9UKV0 3/20 0.38
▸ HDAC5 Q9UQL6 3/20 0.38
▸ SPR P35270 1/20 0.37
▸ SCN9A Q15858 1/20 0.37

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
SCHEMBL25146250 0.91 MGLL (0.46) DPP4MEN1KMT2AMGLLEPHX2
SCHEMBL30408465 0.89 SCN9A (0.41) MEN1KMT2AENPP2ATXN2MGLL
SCHEMBL30409598 0.83 MGLL (0.41) DPP4MEN1KMT2AENPP2ATXN2
SCHEMBL30409361 0.83 MGLL (0.43) ENPP2ATXN2MGLLEPHX2SPR
SCHEMBL25146248 0.80 SCN9A (0.47) MEN1KMT2AMGLLSCN9AAKR1C3
SCHEMBL25251545 0.79 MEN1 (0.48) DPP4MEN1KMT2AENPP2ATXN2
SCHEMBL30409356 0.76 MGLL (0.41) ENPP2ATXN2MGLLHDAC8SCN9A
SCHEMBL25145896 0.76 MEN1 (0.43) DPP4MEN1KMT2AMGLLEPHX2
SCHEMBL30409338 0.75 AKR1C3 (0.40) MEN1KMT2AMGLLSCN9AAKR1C3
SCHEMBL30409546 0.75 MGLL (0.40) ENPP2ATXN2MGLLHDAC8SCN9A

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 DPP4 1687/4885MEN1 50/4885KMT2A 1833/4885

“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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