SCHEMBL2295222

SCHEMBL2295222

CCCCCC[n+]1ccn(C)c1.CS(=O)(=O)[O-]

nearest known ligand 0.44

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 20)

geneUniProtsupporting neighboursconfidence
HTR1A known ✓ P08908 1/20 0.41
ADRA2A known ✓ P08913 1/20 0.41
CHRM1 known ✓ P11229 1/20 0.41
DRD1 known ✓ P21728 1/20 0.41
SLC6A2 known ✓ P23975 1/20 0.41
SLC6A4 known ✓ P31645 1/20 0.41
ADRA1A known ✓ P35348 1/20 0.41
DRD3 known ✓ P35462 1/20 0.41
SLC6A3 known ✓ Q01959 1/20 0.41
ABCB11 O95342 1/20 0.41
ESR1 P03372 1/20 0.41
PGR P06401 1/20 0.41
CHRM2 P08172 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
TBXA2R P21731 1/20 0.41
ACHE P22303 1/20 0.41
PTGS1 P23219 1/20 0.41
PDE4A P27815 1/20 0.41
OPRM1 P35372 1/20 0.41
KCNH2 Q12809 1/20 0.41

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
SCHEMBL13517069 1.00 ABCB11 (0.41) ABCB11ESR1PGRCHRM2HTR1A
SCHEMBL15170121 1.00 ABCB11 (0.41) ABCB11ESR1PGRCHRM2HTR1A
SCHEMBL15170311 0.98
Sulfuric Acid SCHEMBL3687199 0.94 ABCB11 (0.41) ABCB11ESR1PGRCHRM2HTR1A
SCHEMBL2293455 0.94 ABCB11 (0.41) ABCB11ESR1PGRCHRM2HTR1A
Sulfuric Acid SCHEMBL18091450 0.94 ABCB11 (0.41) ABCB11ESR1PGRCHRM2HTR1A
SCHEMBL193628 0.94 KDM4E (0.37)
Sulfuric Acid SCHEMBL1293400 0.92 MEN1 (0.40) ABCB11ESR1PGRCHRM2HTR1A
Sulfuric Acid SCHEMBL1293066 0.92 MEN1 (0.40) ABCB11ESR1PGRCHRM2HTR1A
Sulfuric Acid SCHEMBL18112165 0.92 MEN1 (0.40) ABCB11ESR1PGRCHRM2HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9126848-B2 Synthesis of nanoparticles by means of ionic liquids Leibniz-Insitut fuer Neue Materialien gemeinnuetzige GmbH (DE) 2015-09-08 US claimed
CN-113797767-B Preparation method of carbon nanotube-ionic liquid-derived cellulose composite membrane and composite sheet 四川大学 2022-10-28 CN disclosed
US-11312852-B2 Method for preparing graft copolymer complex, graft copolymer complex, and thermoplastic resin composition comprising graft copolymer complex LG CHEM, LTD. (KR) 2022-04-26 US disclosed
WO-2022030552-A1 ELECTRODE CATALYST FOR FUEL CELLS, AND FUEL CELL 東京都公立大学法人 2022-02-10 WO disclosed
CN-110198962-B Method for preparing graft copolymer composite, and thermoplastic resin composition comprising the same 株式会社LG化学 2022-01-07 CN disclosed
CN-113797767-A Preparation method of carbon nanotube-ionic liquid-derived cellulose composite membrane and composite sheet 四川大学 2021-12-17 CN disclosed
CN-109415452-B Method for producing highly reactive isobutene homo-or copolymers 巴斯夫欧洲公司 2021-10-26 CN disclosed
EP-3533810-B1 METHOD FOR PREPARING GRAFT COPOLYMER COMPLEX, GRAFT COPOLYMER COMPLEX, AND THERMOPLASTIC RESIN COMPOSITION COMPRISING THE GRAFT COPOLYMER COMPLEX LG CHEMICAL LTD (KR) 2021-04-21 EP disclosed
US-10975175-B2 Process for preparing high-reactivity isobutene homo- or copolymers BASF SE (DE) 2021-04-13 US disclosed
EP-3487891-B1 PROCESS FOR PREPARING HIGH-REACTIVITY ISOBUTENE HOMO- OR COPOLYMERS BASF SE (DE) 2020-04-29 EP disclosed
WO-2018015306-A1 PROCESS FOR PREPARING HIGH-REACTIVITY ISOBUTENE HOMO- OR COPOLYMERS BASF SE (DE) 2018-01-25 WO disclosed
EP-2519471-B1 SYNTHESIS OF NANOPARTICLES BY MEANS OF IONIC LIQUIDS LEIBNIZ INST FÜR NEUE MATERIALIEN GEMEINNÜTZIGE GMBH (DE) 2016-08-17 EP disclosed
US-9126848-B2 Synthesis of nanoparticles by means of ionic liquids Leibniz-Insitut fuer Neue Materialien gemeinnuetzige GmbH (DE) 2015-09-08 US disclosed
US-9062266-B2 Imidazolium salts as additives for fuels BASF SE (DE) 2015-06-23 US disclosed
EP-2812418-A1 IMIDAZOLIUM SALTS AS ADDITIVES FOR FUELS AND COMBUSTIBLES BASF SE (DE) 2014-12-17 EP disclosed
US-20130205654-A1 IMIDAZOLIUM SALTS AS ADDITIVES FOR FUELS BASF SE (DE) 2013-08-15 US disclosed
WO-2013117616-A1 IMIDAZOLIUM SALTS AS ADDITIVES FOR FUELS AND COMBUSTIBLES BASF SE (DE) 2013-08-15 WO disclosed
US-20120275991-A1 Synthesis of Nanoparticles by Means of Ionic Liquids LEIBNIZ-INSTITUT FUER NEUE MATERIALIEN GEMEINNUETZIGE GMBH (DE) 2012-11-01 US disclosed
US-7999111-B2 Reacting an onium halide or carboxylate with a symmetrically substituted dialkyl sulfite or with an asymmetrically substituted dialkyl sulfite; 1-hexyl-3-methylimidazolium chloride and dimethyl sulfite; 1-Hexyl-3-methylimidazolium methanesulfonate MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2011-08-16 US disclosed
US-20080221334-A1 Process for the Preparation of Onium Alkylsulfonates MERCK PATENT GESELLSCHAFT (DE) 2008-09-11 US 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-20120275991-A1 Synthesis of Nanoparticles by Means of Ionic Liquids NCL, PML, TTR HTR1A 4790/4885ADRA2A 4755/4885CHRM1 2088/4885
US-20080221334-A1 Process for the Preparation of Onium Alkylsulfonates STS, ARSA, AGPS HTR1A 3358/4885ADRA2A 4323/4885CHRM1 3893/4885

“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.