SCHEMBL22462047

SCHEMBL22462047

CCN(CC)C(=O)c1ccc(OCC(=CF)CN)cn1

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ AOC2 O75106 6/20 0.49
▸ MAOB P27338 5/20 0.49
▸ MAOA P21397 3/20 0.49
▸ DAO P14920 2/20 0.49
▸ AOC3 Q16853 14/20 0.47

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
SCHEMBL21040306 1.00 AOC2 (0.49) AOC2MAOBMAOADAOAOC3
SCHEMBL30527072 1.00 AOC2 (0.49) AOC2MAOBMAOADAOAOC3
Hydrochloric Acid SCHEMBL22462192 0.99 AOC2 (0.48) AOC2MAOBMAOADAOAOC3
Hydrochloric Acid SCHEMBL22462191 0.99 AOC2 (0.48) AOC2MAOBMAOADAOAOC3
SCHEMBL22462035 0.84 AOC2 (0.36) AOC2MAOBAOC3
SCHEMBL22462034 0.84 AOC2 (0.36) AOC2MAOBAOC3
SCHEMBL15527585 0.83 AOC3 (0.60) AOC2MAOBMAOADAOAOC3
SCHEMBL16787366 0.83 AOC3 (0.60) AOC2MAOBMAOADAOAOC3
SCHEMBL15527584 0.83 AOC3 (0.60) AOC2MAOBMAOADAOAOC3
Hydrochloric Acid SCHEMBL16767531 0.81 AOC3 (0.61) AOC2MAOBMAOADAOAOC3

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 3 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

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 AOC2 102/4885MAOB 1567/4885MAOA 1166/4885
US-20210070750-A1 HALO-ALLYLAMINE SSAO/VAP-1 INHIBITOR AND USE THEREOF VAPB, VAPA, ADRA1D AOC2 102/4885MAOB 1567/4885MAOA 1166/4885

“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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