SCHEMBL21040314

SCHEMBL21040314

O=C1c2ccc(O)cc2CCN1C1CC1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAOA P21397 4/20 0.52
MAOB P27338 2/20 0.52
CRBN Q96SW2 2/20 0.51
HRH3 Q9Y5N1 3/20 0.50
PRKCI P41743 1/20 0.50
AOC3 Q16853 2/20 0.45
CYP26A1 O43174 2/20 0.43
KDM1A O60341 1/20 0.42
ESR2 Q92731 1/20 0.41
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
HTR2B P41595 1/20 0.41
HSD17B1 P14061 1/20 0.41
PRMT5 O14744 1/20 0.40
WDR77 Q9BQA1 1/20 0.40
CYP19A1 P11511 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
SCHEMBL787033 0.94 HRH3 (0.54) MAOAMAOBCRBNHRH3PRKCI
SCHEMBL29798717 0.94 HRH3 (0.54) MAOAMAOBCRBNHRH3PRKCI
SCHEMBL26170054 0.93 MAOA (0.54) MAOAMAOBCRBNHRH3PRKCI
SCHEMBL14158303 0.91 MAOA (0.46) MAOAMAOBCRBNHRH3PRKCI
SCHEMBL14158305 0.91 MAOA (0.46) MAOAMAOBCRBNHRH3PRKCI
SCHEMBL3655634 0.90 CRBN (0.49) MAOAMAOBCRBNHRH3PRKCI
SCHEMBL22713799 0.90 AOC3 (0.56) MAOAMAOBCRBNHRH3PRKCI
SCHEMBL3651082 0.88 HRH3 (0.67) MAOAMAOBCRBNHRH3PRKCI
SCHEMBL3657994 0.85 HTR2C (0.52) MAOAMAOBCRBNHRH3PRKCI
SCHEMBL3655622 0.85 HTR2C (0.52) MAOAMAOBCRBNHRH3PRKCI

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109810041-B Halogenated allylamine SSAO/VAP-1 inhibitor and application thereof 药捷安康(南京)科技股份有限公司 2023-08-15 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-20210070750-A1 HALO-ALLYLAMINE SSAO/VAP-1 INHIBITOR AND USE THEREOF TRANSTHERA SCIENCES (NANJING), INC. (CN) 2021-03-11 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
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 1567/4885CRBN 3898/4885
US-20210070750-A1 HALO-ALLYLAMINE SSAO/VAP-1 INHIBITOR AND USE THEREOF VAPB, VAPA, ADRA1D MAOA 1166/4885MAOB 1567/4885CRBN 3898/4885

“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.