SCHEMBL30321077

SCHEMBL30321077

CCN(CC)C(=O)c1ccc(OC/C(=C/F)CNC(=O)OC(C)(C)C)cn1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ AOC2 O75106 4/20 0.37
▸ MAOB P27338 2/20 0.37
▸ AOC3 Q16853 6/20 0.36
▸ SCN9A Q15858 2/20 0.34
▸ CKS1B P61024 1/20 0.33
▸ SKP1 P63208 1/20 0.33
▸ SKP2 Q13309 1/20 0.33
▸ CA12 O43570 2/20 0.33
▸ CA1 P00915 2/20 0.33
▸ CA2 P00918 2/20 0.33
▸ CA9 Q16790 2/20 0.33
▸ EGLN1 Q9GZT9 1/20 0.33
▸ PARP1 P09874 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
SCHEMBL30527037 1.00 L3MBTL1 (0.39) L3MBTL1AOC2MAOBAOC3SCN9A
SCHEMBL21042102 1.00 L3MBTL1 (0.39) L3MBTL1AOC2MAOBAOC3SCN9A
SCHEMBL22462034 0.87 AOC2 (0.36) AOC2MAOBAOC3SCN9A
SCHEMBL22462035 0.87 AOC2 (0.36) AOC2MAOBAOC3SCN9A
SCHEMBL28666193 0.82 AOC3 (0.41) AOC2MAOBAOC3CA12CA1
SCHEMBL22462047 0.80 AOC2 (0.49) AOC2MAOBAOC3
SCHEMBL21040306 0.80 AOC2 (0.49) AOC2MAOBAOC3
SCHEMBL30527072 0.80 AOC2 (0.49) AOC2MAOBAOC3
SCHEMBL28666101 0.80 AOC3 (0.39) AOC2MAOBAOC3CA12CA1
SCHEMBL28668740 0.80 AOC3 (0.39) AOC2MAOBAOC3CA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11649233-B2 Halo-allylamine SSAO/VAP-1 inhibitor and use thereof NANJING TRANSTHERA BIOSCIENCES CO., LTD. (CN) 2023-05-16 — — US 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-11649233-B2 Halo-allylamine SSAO/VAP-1 inhibitor and use thereof VAPB, VAPA, ADRA1D L3MBTL1 1172/4885AOC2 102/4885MAOB 1567/4885

“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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