SCHEMBL18173571

SCHEMBL18173571

CC(C)[C@H]1c2nc[nH]c2CCN1C(=O)O.CS(=O)(=O)O

nearest known ligand 0.59

Known targets — ChEMBL curated mechanism

ABL1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB2AGTR1BCL2BCL2A1BCL2L1BCL2L10BCL2L2BCRBRAFCHRM1CHRNA10CHRNA9DRD1DRD2DRD3DRD4DRD5EGFRF2FLT1FLT4GCKGHSRGNRHRGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHTR1AHTR1BHTR1DHTR2AHTR2CHTR3AIDH2KDRKITMAOBMCL1MTTPPP4HBPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PIKFYVEROCK1ROCK2SLC18A2SLC6A2SLC6A3SLC6A4TACR1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8gyrAgyrBparCparEpol

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 3/20 0.59
RAB9A P51151 1/20 0.32

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
Sulfuric Acid SCHEMBL18173573 0.96 AOC3 (0.60) AOC3RAB9A
Sulfuric Acid SCHEMBL18173563 0.95 AOC3 (0.59) AOC3RAB9A
SCHEMBL1973686 0.94 AOC3 (0.65) AOC3RAB9A
SCHEMBL12094922 0.94 AOC3 (0.65) AOC3RAB9A
Hydrochloric Acid SCHEMBL18173566 0.92 AOC3 (0.64) AOC3RAB9A
SCHEMBL18953107 0.83 AOC3 (0.62) AOC3
SCHEMBL11516578 0.82 AOC3 (0.58) AOC3RAB9A
SCHEMBL28563810 0.79 AOC3 (0.66) AOC3
SCHEMBL28563808 0.79 AOC3 (0.66) AOC3
SCHEMBL11514454 0.78 AOC3 (0.53) AOC3RAB9A

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3286189-B1 CRYSTALLINE MESYLATE SALT AS SEMICARBAZIDE-SENSITIVE AMINE OXIDASE (SSAO) ENZYME INHIBITOR BENEVOLENTAI CAMBRIDGE LTD (GB) 2021-05-26 EP claimed
EP-3286190-B1 PHARMACEUTICAL SALT FORMS OF AN INHIBITOR OF SEMICARBAZIDE-SENSITIVE AMINE OXIDASE (SSAO) BENEVOLENTAI CAMBRIDGE LTD (GB) 2020-06-03 EP claimed
US-10369139-B2 Crystalline compound as semicarbazide-sensitive amine oxidase (SSAO) enzyme inhibitor Benevolentai Cambridge Limited (GB) 2019-08-06 US claimed
US-20180111928-A1 PHARMACEUTICAL SALT FORMS OF AN INHIBITOR OF SEMICARBAZIDE-SENSITIVE AMINE OXIDASE (SSAO) PROXIMAGEN LIMITED (GB) 2018-04-26 US claimed
US-20180085357-A1 CRYSTALLINE COMPOUND AS SEMICARBAZIDE-SENSITIVE AMINE OXIDASE (SSAO) ENZYME INHIBITOR PROXIMAGEN LIMITED (GB) 2018-03-29 US claimed
EP-3286189-A1 CRYSTALLINE COMPOUND AS SEMICARBAZIDE-SENSITIVE AMINE OXIDASE (SSAO) ENZYME INHIBITOR Proximagen Limited (GB) 2018-02-28 EP claimed
EP-3286190-A1 PHARMACEUTICAL SALT FORMS OF AN INHIBITOR OF SEMICARBAZIDE-SENSITIVE AMINE OXIDASE (SSAO) Proximagen Limited (GB) 2018-02-28 EP claimed
WO-2016170351-A1 PHARMACEUTICAL SALT FORMS OF AN INHIBITOR OF SEMICARBAZIDE-SENSITIVE AMINE OXIDASE (SSAO) PROXIMAGEN LIMITED (GB) 2016-10-27 WO claimed
WO-2016170352-A1 CRYSTALLINE COMPOUND AS SEMICARBAZIDE-SENSITIVE AMINE OXIDASE (SSAO) ENZYME INHIBITOR PROXIMAGEN LIMITED (GB) 2016-10-27 WO claimed
EP-3286189-B1 CRYSTALLINE MESYLATE SALT AS SEMICARBAZIDE-SENSITIVE AMINE OXIDASE (SSAO) ENZYME INHIBITOR BENEVOLENTAI CAMBRIDGE LTD (GB) 2021-05-26 EP disclosed
EP-3777846-A1 VAP-1 INHIBITORS FOR TREATING PAIN BenevolentAI Cambridge Limited (GB) 2021-02-17 EP disclosed
US-20200397764-A1 VAP-1 INHIBITORS FOR TREATING PAIN PROXIMAGEN, LLC 2020-12-24 US disclosed
EP-3286190-B1 PHARMACEUTICAL SALT FORMS OF AN INHIBITOR OF SEMICARBAZIDE-SENSITIVE AMINE OXIDASE (SSAO) BENEVOLENTAI CAMBRIDGE LTD (GB) 2020-06-03 EP disclosed
US-10369139-B2 Crystalline compound as semicarbazide-sensitive amine oxidase (SSAO) enzyme inhibitor Benevolentai Cambridge Limited (GB) 2019-08-06 US disclosed
EP-3286190-A1 PHARMACEUTICAL SALT FORMS OF AN INHIBITOR OF SEMICARBAZIDE-SENSITIVE AMINE OXIDASE (SSAO) Proximagen Limited (GB) 2018-02-28 EP disclosed
EP-3285767-A1 TREATMENT OF PAIN Proximagen Limited (GB) 2018-02-28 EP disclosed
WO-2017098236-A1 VAP-1 INHIBITORS FOR TREATING PAIN PROXIMAGEN LIMITED (GB) 2017-06-15 WO disclosed
WO-2016170353-A1 TREATMENT OF PAIN PROXIMAGEN LIMITED (GB) 2016-10-27 WO disclosed
WO-2016170351-A1 PHARMACEUTICAL SALT FORMS OF AN INHIBITOR OF SEMICARBAZIDE-SENSITIVE AMINE OXIDASE (SSAO) PROXIMAGEN LIMITED (GB) 2016-10-27 WO disclosed
WO-2016170352-A1 CRYSTALLINE COMPOUND AS SEMICARBAZIDE-SENSITIVE AMINE OXIDASE (SSAO) ENZYME INHIBITOR PROXIMAGEN LIMITED (GB) 2016-10-27 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-20200397764-A1 VAP-1 INHIBITORS FOR TREATING PAIN VAPB, VAPA, OPRL1 AOC3 55/4885RAB9A 3287/4885
US-10369139-B2 Crystalline compound as semicarbazide-sensitive amine oxidase (SSAO) enzyme inhibitor PNPO, MAOA, AOC3 AOC3 3/4885RAB9A 4361/4885
US-20180111928-A1 PHARMACEUTICAL SALT FORMS OF AN INHIBITOR OF SEMICARBAZIDE-SENSITIVE AMINE OXIDASE (SSAO) SMOX, AOC3, DAO AOC3 2/4885RAB9A 4118/4885
US-20180085357-A1 CRYSTALLINE COMPOUND AS SEMICARBAZIDE-SENSITIVE AMINE OXIDASE (SSAO) ENZYME INHIBITOR MAOA, PNPO, AOX1 AOC3 4/4885RAB9A 4377/4885

“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.