SCHEMBL22462073

SCHEMBL22462073

NCC(=CF)COc1ccc2c(c1)CN(C1CC1)C2=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 11/20 1.00
▸ MAOB P27338 1/20 0.82
▸ AOC3 Q16853 9/20 0.72

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
SCHEMBL21041091 1.00 MAOA (1.00) MAOAMAOBAOC3
SCHEMBL22477278 1.00 MAOA (1.00) MAOAMAOBAOC3
Hydrochloric Acid SCHEMBL22462061 0.99 MAOA (0.98) MAOAMAOBAOC3
Hydrochloric Acid SCHEMBL22462049 0.99 MAOA (0.98) MAOAMAOBAOC3
Hydrochloric Acid SCHEMBL22462048 0.99 MAOA (0.98) MAOAMAOBAOC3
SCHEMBL23068714 0.90 MAOA (1.00) MAOAMAOBAOC3
SCHEMBL22462014 0.90 MAOA (1.00) MAOAMAOBAOC3
SCHEMBL21040823 0.90 MAOA (1.00) MAOAMAOBAOC3
Hydrochloric Acid SCHEMBL23068722 0.89 MAOA (0.98) MAOAMAOBAOC3
Hydrochloric Acid SCHEMBL22462072 0.89 MAOA (0.98) MAOAMAOBAOC3

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 MAOA 1166/4885MAOB 1567/4885AOC3 79/4885
US-20210070750-A1 HALO-ALLYLAMINE SSAO/VAP-1 INHIBITOR AND USE THEREOF VAPB, VAPA, ADRA1D MAOA 1166/4885MAOB 1567/4885AOC3 79/4885

“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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