SCHEMBL30012449

SCHEMBL30012449

O=C(N1CC2(CC(Oc3cncc(F)c3)C2)C1)N1CC2(CC(n3cnc(C4CC4)n3)C2)C1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ABHD6 Q9BV23 9/20 0.52
▸ MGLL Q99685 11/20 0.51
▸ HDAC4 P56524 2/20 0.35
▸ GPR119 Q8TDV5 1/20 0.33
▸ FAAH O00519 1/20 0.33
▸ AXL P30530 1/20 0.33
▸ TYRO3 Q06418 1/20 0.33
▸ MERTK Q12866 1/20 0.33
▸ GRIN1 Q05586 1/20 0.30
▸ GRIN2B Q13224 1/20 0.30

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
SCHEMBL27144253 1.00 ABHD6 (0.52) ABHD6MGLLHDAC4GPR119FAAH
SCHEMBL30012054 0.90 MGLL (0.52) ABHD6MGLLAXLTYRO3MERTK
SCHEMBL27149157 0.90 MGLL (0.52) ABHD6MGLLAXLTYRO3MERTK
SCHEMBL27142614 0.89 MGLL (0.55) ABHD6MGLL
SCHEMBL30012418 0.89 MGLL (0.55) ABHD6MGLL
SCHEMBL27147866 0.85 MGLL (0.53) ABHD6MGLLFAAH
SCHEMBL27151067 0.84 MGLL (0.52) ABHD6MGLLFAAHGRIN1GRIN2B
SCHEMBL27153086 0.83 MGLL (0.58) ABHD6MGLL
SCHEMBL27143399 0.82 MGLL (0.51) ABHD6MGLLFAAHAXLTYRO3
SCHEMBL27140111 0.82 MGLL (0.51) ABHD6MGLLGRIN1GRIN2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4326714-A1 HETEROCYCLIC COMPOUNDS F. Hoffmann-La Roche AG (CH) 2024-02-28 — — EP claimed
CN-117295726-A Heterocyclic compounds 豪夫迈·罗氏有限公司 2023-12-26 — — CN claimed
WO-2022223750-A1 HETEROCYCLIC COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2022-10-27 — — WO claimed
US-20240199587-A1 HETEROCYCLIC COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2024-06-20 — — US disclosed
CN-117295726-A Heterocyclic compounds 豪夫迈·罗氏有限公司 2023-12-26 — — CN 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-20240199587-A1 HETEROCYCLIC COMPOUNDS CYP1B1, CYP1A1, CYP4B1 ABHD6 2296/4885MGLL 4524/4885HDAC4 1611/4885

“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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