SCHEMBL21040323

SCHEMBL21040323

CC(C)(C)OC(=O)NC/C(=C\F)COc1ccc2c(c1)CCNC2=O

nearest known ligand 0.44

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 17/20 0.44
MAOA P21397 2/20 0.40
MAOB P27338 1/20 0.40

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
SCHEMBL22713712 1.00 AOC3 (0.44) AOC3MAOAMAOB
SCHEMBL22713714 1.00 AOC3 (0.44) AOC3MAOAMAOB
SCHEMBL29798436 0.93 AOC3 (0.39) AOC3
SCHEMBL22725848 0.93 AOC3 (0.39) AOC3
SCHEMBL22725982 0.93 AOC3 (0.39) AOC3
SCHEMBL29986680 0.91 AOC3 (0.39) AOC3
SCHEMBL22713772 0.91 AOC3 (0.39) AOC3
SCHEMBL28654296 0.91 AOC3 (0.39) AOC3
SCHEMBL21041115 0.91 AOC3 (0.42) AOC3MAOAMAOB
SCHEMBL21042098 0.91 AOC3 (0.42) AOC3MAOAMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113748104-B Isoquinolinones for inhibiting SSAO/VAP-1 and application thereof 广东东阳光药业股份有限公司 2024-02-27 CN 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-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
CN-113748104-A Isoquinolinone compound for inhibiting SSAO/VAP-1 and application thereof 广东东阳光药业有限公司 2021-12-03 CN disclosed
US-20210070750-A1 HALO-ALLYLAMINE SSAO/VAP-1 INHIBITOR AND USE THEREOF TRANSTHERA SCIENCES (NANJING), INC. (CN) 2021-03-11 US disclosed
US-20200377461-A1 AMINE COMPOUND FOR INHIBITING SSAO / VAP-1 AND USE THEREOF SUNSHINE LAKE PHARMA CO., LTD. (CN) 2020-12-03 US disclosed
WO-2020233583-A1 ISOQUINOLINONE COMPOUND FOR INHIBITING SSAO/VAP-1, AND USE THEREOF 广东东阳光药业有限公司 (CN) 2020-11-26 WO 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 (4 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 79/4885MAOA 1166/4885MAOB 1567/4885
US-20210070750-A1 HALO-ALLYLAMINE SSAO/VAP-1 INHIBITOR AND USE THEREOF VAPB, VAPA, ADRA1D AOC3 79/4885MAOA 1166/4885MAOB 1567/4885
US-11396495-B2 Amine compound for inhibiting SSAO/VAP-1 and use thereof VCAM1, VAPB, ICAM1 AOC3 6/4885MAOA 13/4885MAOB 16/4885
US-20200377461-A1 AMINE COMPOUND FOR INHIBITING SSAO / VAP-1 AND USE THEREOF VCAM1, VAPB, ICAM1 AOC3 6/4885MAOA 13/4885MAOB 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.