SCHEMBL30408525

SCHEMBL30408525

O=C1CCC2(CN(C(=O)N3CC4(CCC(Nc5cnc(C(F)(F)F)cn5)CC4)C3)C2)N1

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ HCRTR1 O43613 17/20 0.39
▸ MGLL Q99685 1/20 0.39
▸ CCNK O75909 1/20 0.39
▸ CDK12 Q9NYV4 1/20 0.39
▸ HCRTR2 O43614 6/20 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
SCHEMBL25146253 1.00 HCRTR1 (0.39) HCRTR1MGLLCCNKCDK12HCRTR2
SCHEMBL30408939 0.85 MGLL (0.44) HCRTR1MGLLCCNKCDK12
SCHEMBL25145740 0.85 MGLL (0.44) HCRTR1MGLLCCNKCDK12
SCHEMBL30409354 0.83 MGLL (0.42) MGLL
SCHEMBL25145622 0.83 MGLL (0.42) MGLL
SCHEMBL25324903 0.79 CCNK (0.38) HCRTR1MGLLCCNKCDK12
SCHEMBL30553201 0.79 CCNK (0.38) HCRTR1MGLLCCNKCDK12
SCHEMBL30408903 0.78 MGLL (0.41) MGLL
SCHEMBL30699937 0.77 CCNK (0.44) HCRTR1CCNKCDK12
SCHEMBL30700041 0.77 CCNK (0.44) HCRTR1CCNKCDK12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240383904-A1 HETEROCYCLIC COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2024-11-21 — — US claimed
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 HCRTR1 2560/4885MGLL 5/4885CCNK 516/4885

“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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