SCHEMBL21040809

SCHEMBL21040809

CC(C)(C)N1Cc2cc(OC/C(=C/F)CN)ccc2C1=O

nearest known ligand 0.67

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 4/20 0.67
▸ AOC3 Q16853 16/20 0.67
▸ MAOB P27338 1/20 0.60

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
SCHEMBL21041101 0.90 AOC3 (0.75) MAOAAOC3MAOB
SCHEMBL21040302 0.85 AOC3 (0.81) MAOAAOC3MAOB
SCHEMBL22710371 0.84 AOC3 (0.72) MAOAAOC3MAOB
SCHEMBL22710424 0.84 AOC3 (0.72) MAOAAOC3MAOB
SCHEMBL21040298 0.83 MAOA (0.67) MAOAAOC3MAOB
SCHEMBL21041091 0.80 MAOA (1.00) MAOAAOC3MAOB
SCHEMBL22477278 0.80 MAOA (1.00) MAOAAOC3MAOB
SCHEMBL22462073 0.80 MAOA (1.00) MAOAAOC3MAOB
SCHEMBL21780141 0.80 AOC3 (1.00) MAOAAOC3MAOB
SCHEMBL21780064 0.80 AOC3 (1.00) MAOAAOC3MAOB

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 6 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-11649233-B2 Halo-allylamine SSAO/VAP-1 inhibitor and use thereof NANJING TRANSTHERA BIOSCIENCES CO., LTD. (CN) 2023-05-16 — — US disclosed
US-11396495-B2 Amine compound for inhibiting SSAO/VAP-1 and use thereof SUNSHINE LAKE PHARMA CO., LTD. (CN) 2022-07-26 — — 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 (3 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 1166/4885AOC3 79/4885MAOB 1567/4885
US-20210070750-A1 HALO-ALLYLAMINE SSAO/VAP-1 INHIBITOR AND USE THEREOF VAPB, VAPA, ADRA1D MAOA 1166/4885AOC3 79/4885MAOB 1567/4885
US-11396495-B2 Amine compound for inhibiting SSAO/VAP-1 and use thereof VCAM1, VAPB, ICAM1 MAOA 13/4885AOC3 6/4885MAOB 16/4885

“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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