SCHEMBL30013207

SCHEMBL30013207

O=C(N1CC(OCc2ccc(F)cc2Cl)C1)N1CC2(CC(c3cncc(F)c3)C2)C1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 7/20 0.49
▸ GRIN2B Q13224 1/20 0.38
▸ FAAH O00519 2/20 0.37
▸ ABHD6 Q9BV23 1/20 0.35
▸ GRM5 P41594 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ P2RX7 Q99572 1/20 0.33
▸ MMP1 P03956 1/20 0.33
▸ MMP13 P45452 1/20 0.33
▸ ADAM17 P78536 1/20 0.33
▸ HDAC4 P56524 2/20 0.33

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
SCHEMBL27150619 1.00 MGLL (0.49) MGLLGRIN2BFAAHABHD6GRM5
SCHEMBL30012490 0.84 MGLL (0.46) MGLLGRIN2BFAAHP2RX7MMP1
SCHEMBL27143260 0.84 MGLL (0.46) MGLLGRIN2BFAAHP2RX7MMP1
SCHEMBL25324958 0.82 MGLL (0.49) MGLLGRIN2BFAAHALDH1A1ALOX15
SCHEMBL27143171 0.78 MGLL (0.49) MGLLGRIN2BFAAHALDH1A1ALOX15
SCHEMBL27143135 0.78 MGLL (0.45) MGLLGRIN2BFAAHALDH1A1ALOX15
SCHEMBL30011824 0.77 MGLL (0.37) MGLLABHD6HDAC4
SCHEMBL27139999 0.77 MGLL (0.37) MGLLABHD6HDAC4
SCHEMBL30012519 0.76 FAAH (0.37) MGLLFAAHABHD6P2RX7HDAC4
SCHEMBL27147404 0.76 FAAH (0.37) MGLLFAAHABHD6P2RX7HDAC4

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-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
EP-4326714-A1 HETEROCYCLIC COMPOUNDS F. Hoffmann-La Roche AG (CH) 2024-02-28 — — EP disclosed
CN-117295726-A Heterocyclic compounds 豪夫迈·罗氏有限公司 2023-12-26 — — CN disclosed
WO-2022223750-A1 HETEROCYCLIC COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2022-10-27 — — 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-20240199587-A1 HETEROCYCLIC COMPOUNDS CYP1B1, CYP1A1, CYP4B1 MGLL 4524/4885GRIN2B 2446/4885FAAH 1280/4885

“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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