SCHEMBL30409361

SCHEMBL30409361

O=C1CCC2(CN(C(=O)N3CC4(C3)CN(S(=O)(=O)c3ccccc3OC(F)(F)F)C4)C2)N1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 2/20 0.43
▸ CHRM1 P11229 1/20 0.41
▸ LIPE Q05469 3/20 0.40
▸ AKR1C3 P42330 1/20 0.39
▸ SPR P35270 1/20 0.38
▸ DDB1 Q16531 3/20 0.35
▸ CRBN Q96SW2 3/20 0.35
▸ GSPT1 P15170 1/20 0.35
▸ EPHX2 P34913 1/20 0.35
▸ KDM2B Q8NHM5 1/20 0.34
▸ ENPP2 Q13822 1/20 0.33
▸ ATXN2 Q99700 1/20 0.33
▸ CCR1 P32246 1/20 0.32
▸ RORC P51449 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
SCHEMBL25146128 0.91 MGLL (0.49) MGLLCHRM1LIPEAKR1C3SPR
SCHEMBL30409535 0.84 CHRM1 (0.40) MGLLCHRM1LIPEAKR1C3SPR
SCHEMBL30408615 0.83 DPP4 (0.41) MGLLLIPEAKR1C3SPREPHX2
SCHEMBL30408465 0.82 SCN9A (0.41) MGLLAKR1C3DDB1CRBNKDM2B
SCHEMBL25253992 0.80 CHRM1 (0.48) MGLLCHRM1LIPEAKR1C3SPR
SCHEMBL25292328 0.77 CHRM1 (0.46) CHRM1LIPEAKR1C3SPRKDM2B
SCHEMBL25145990 0.76 CHRM1 (0.44) MGLLCHRM1LIPEAKR1C3SPR
SCHEMBL25322792 0.76 AKR1C3 (0.42) MGLLCHRM1LIPEAKR1C3SPR
SCHEMBL25325438 0.75 CHRM1 (0.40) MGLLCHRM1LIPEAKR1C3SPR
SCHEMBL25146250 0.74 MGLL (0.46) MGLLLIPESPREPHX2

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 MGLL 5/4885CHRM1 4581/4885LIPE 3311/4885

“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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