SCHEMBL21040263

SCHEMBL21040263

COCOc1ccc2c(c1)CCN(C1CC1)C2=O

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAOA P21397 5/20 0.61
MAOB P27338 1/20 0.61
HRH3 Q9Y5N1 5/20 0.54
AOC3 Q16853 6/20 0.53
HTR2A P28223 1/20 0.46
HTR2C P28335 1/20 0.46
HTR2B P41595 1/20 0.46
MCHR1 Q99705 1/20 0.42
ITGB3 P05106 1/20 0.42
ITGA2B P08514 1/20 0.42

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
SCHEMBL23078966 0.81 MAOA (0.45) MAOAMAOBHRH3AOC3ITGB3
SCHEMBL787269 0.81 HRH3 (0.63) MAOAMAOBHRH3AOC3HTR2A
SCHEMBL8415823 0.80 HRH3 (0.62) MAOAMAOBHRH3AOC3HTR2A
SCHEMBL22477295 0.78 MAOA (0.83) MAOAMAOBAOC3
SCHEMBL22725996 0.78 AOC3 (0.61) MAOAMAOBHRH3AOC3HTR2A
SCHEMBL9740545 0.77 MAOB (0.57) MAOAMAOBHRH3
SCHEMBL21040823 0.76 MAOA (1.00) MAOAMAOBAOC3
SCHEMBL23068714 0.76 MAOA (1.00) MAOAMAOBAOC3
SCHEMBL22462014 0.76 MAOA (1.00) MAOAMAOBAOC3
Hydrochloric Acid SCHEMBL23068722 0.75 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 5 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-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 MAOA 1166/4885MAOB 1567/4885HRH3 605/4885
US-20210070750-A1 HALO-ALLYLAMINE SSAO/VAP-1 INHIBITOR AND USE THEREOF VAPB, VAPA, ADRA1D MAOA 1166/4885MAOB 1567/4885HRH3 605/4885

“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.