SCHEMBL21040303

SCHEMBL21040303

CC(C)(C)NC(=O)c1ccc(OC/C(=C/F)CN)cn1

nearest known ligand 0.71

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ AOC3 Q16853 15/20 0.71
▸ MAOB P27338 5/20 0.71
▸ AOC2 O75106 5/20 0.49
▸ MAOA P21397 3/20 0.48
▸ DAO P14920 2/20 0.48

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
SCHEMBL22477328 0.84 AOC3 (0.61) AOC3MAOBAOC2
SCHEMBL16767507 0.83 AOC3 (1.00) AOC3MAOBAOC2MAOADAO
SCHEMBL16766991 0.83 AOC3 (1.00) AOC3MAOBAOC2MAOADAO
SCHEMBL16766988 0.83 AOC3 (1.00) AOC3MAOBAOC2MAOADAO
SCHEMBL21865250 0.83 AOC3 (0.63) AOC3MAOBAOC2MAOADAO
Hydrochloric Acid SCHEMBL16766775 0.82 AOC3 (1.00) AOC3MAOBAOC2MAOADAO
Hydrochloric Acid SCHEMBL15528246 0.82 AOC3 (1.00) AOC3MAOBAOC2MAOADAO
Hydrochloric Acid SCHEMBL15528250 0.82 AOC3 (1.00) AOC3MAOBAOC2MAOADAO
SCHEMBL30527072 0.78 AOC2 (0.49) AOC3MAOBAOC2MAOADAO
SCHEMBL22462047 0.78 AOC2 (0.49) AOC3MAOBAOC2MAOADAO

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 4 patents. 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
US-20210070750-A1 HALO-ALLYLAMINE SSAO/VAP-1 INHIBITOR AND USE THEREOF TRANSTHERA SCIENCES (NANJING), INC. (CN) 2021-03-11 — — US disclosed
EP-3715341-A1 HALO-ALLYLAMINE SSAO/VAP-1 INHIBITOR AND USE THEREOF Nanjing Transthera Biosciences Co., Ltd. (CN) 2020-09-30 — — EP disclosed
WO-2019101086-A1 HALO-ALLYLAMINE SSAO/VAP-1 INHIBITOR AND USE THEREOF 南京药捷安康生物科技有限公司 2019-05-31 — — 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 (2 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 AOC3 79/4885MAOB 1567/4885AOC2 102/4885
US-20210070750-A1 HALO-ALLYLAMINE SSAO/VAP-1 INHIBITOR AND USE THEREOF VAPB, VAPA, ADRA1D AOC3 79/4885MAOB 1567/4885AOC2 102/4885

“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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