SCHEMBL30408491

SCHEMBL30408491

O=C1NCC2(CN(C(=O)N3CC4(CC(Cc5ccc(C(F)(F)F)nc5)C4)C3)C2)N1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 8/20 0.39
▸ DAO P14920 2/20 0.33
▸ CYP11B1 P15538 1/20 0.33
▸ CYP11B2 P19099 1/20 0.33
▸ ENPP2 Q13822 1/20 0.32
▸ ADAMTS5 Q9UNA0 1/20 0.32
▸ NAMPT P43490 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CYP3A5 P20815 1/20 0.32
▸ KIT P10721 1/20 0.32
▸ SCN5A Q14524 1/20 0.32
▸ SCN9A Q15858 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
SCHEMBL25145711 0.89 MGLL (0.36) MGLLENPP2NAMPTCYP3A4CYP3A5
SCHEMBL30409960 0.85 MGLL (0.42) MGLLDAOCYP11B1CYP11B2ENPP2
SCHEMBL25145620 0.85 MGLL (0.42) MGLLDAOCYP11B1CYP11B2ENPP2
SCHEMBL30408599 0.84 MGLL (0.46) MGLL
SCHEMBL30408841 0.83 MGLL (0.39) MGLLDAOCYP11B1CYP11B2ENPP2
SCHEMBL31549741 0.81 MGLL (0.38) MGLLENPP2NAMPTCYP3A4CYP3A5
SCHEMBL31549735 0.81 MGLL (0.40) MGLLENPP2NAMPTCYP3A4CYP3A5
SCHEMBL30012263 0.81 MGLL (0.42) MGLLENPP2NAMPT
SCHEMBL27246270 0.81 MGLL (0.42) MGLLENPP2NAMPT
SCHEMBL25297792 0.80 MGLL (0.38) MGLLDAOENPP2NAMPTCYP3A4

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 5/4885DAO 2151/4885CYP11B1 521/4885

“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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