SCHEMBL4904783

SCHEMBL4904783

CN1CC[N+](C)(CCO)CC1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 1/20 0.39
BCHE P06276 1/20 0.32
ACHE P22303 1/20 0.32
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
CHRM5 P08912 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 1/20 0.31
PTK2 Q05397 1/20 0.30

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
Bromide SCHEMBL15821414 0.98 SLC18A3 (0.38) SLC18A3BCHEACHECHRM2CHRM4
Hydrochloric Acid SCHEMBL15821912 0.98 SLC18A3 (0.38) SLC18A3BCHEACHECHRM2CHRM4
Acetic Acid SCHEMBL15820939 0.88 TDP1 (0.33) SLC18A3BCHEACHE
SCHEMBL3457888 0.86 SLC18A3 (0.33) SLC18A3PTK2
SCHEMBL4904721 0.82 ALDH1A1 (0.39) SLC18A3CHRM2CHRM4CHRM5CHRM1
SCHEMBL4906465 0.80 MGLL (0.36)
SCHEMBL4896742 0.80 TSHR (0.37)
SCHEMBL4893881 0.79 SLC18A3 (0.47) SLC18A3PTK2
SCHEMBL16138541 0.78 BCHE (0.30) BCHEACHE
SCHEMBL14541513 0.78 PTK2 (0.31) PTK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10926213-B2 Sulfur dioxide absorbent is an ionic liquid including a salt of a diamine compound that is substituted with a hydroxyl group KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2021-02-23 US disclosed
US-20200155997-A1 HYDROXYL GROUP-CONTAINING AMINE-BASED SULFUR DIOXIDE AND SULFUROUS ACID ABSORBENT, AND METHOD FOR PREPARING THE SAME KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2020-05-21 US disclosed
US-20160160160-A1 COMPOSITION CHEMSENTI LIMITED (GB) 2016-06-09 US disclosed
WO-2015022502-A1 COMPOSITION CHEMSENTI LIMITED (GB) 2015-02-19 WO disclosed
EP-1867667-B1 Method for manufacturing stabilized polyacetal resin POLYPLASTICS CO (JP) 2012-10-31 EP disclosed
WO-2010020583-A1 IMPROVED BLEACH PROCESS BASF SE (DE) 2010-02-25 WO disclosed
US-20090044345-A1 Use of Metal Complex Compounds as Oxidation Catalysts CIBA CORP. 2009-02-19 US disclosed
US-20080271381-A1 Method for manufacturing stabilized polyacetal resin, stabilized polyacetal resin, stabilized polyacetal resin composition, and molded article of stabilized polyacetal resin POLYPLASTICS CO., LTD (JP) 2008-11-06 US disclosed
US-20080000032-A1 Use of Metal Complexes Having Bispyridylpyrimidine or Bispyridyltriazine Ligands as Catalysts for Reactions With Peroxy Compounds for Bleaching Coloured Stains on Hard Surfaces CIBA SPECIALTY CHEMICALS CORP. 2008-01-03 US disclosed
US-20080000032-A1 Use of Metal Complexes Having Bispyridylpyrimidine or Bispyridyltriazine Ligands as Catalysts for Reactions With Peroxy Compounds for Bleaching Coloured Stains on Hard Surfaces CIBA SPECIALTY CHEMICALS CORP. 2008-01-03 US disclosed
EP-1867667-A1 Method for manufacturing stabilized polyacetal resin, stabilized polyacetal resin, stabilized polyacetal resin composition, and molded article of stabilized polyacetal resin Polyplastics Co., Ltd. (JP) 2007-12-19 EP disclosed
WO-2007090461-A1 USE OF METAL COMPLEX COMPOUNDS AS OXIDATION CATALYSTS CIBA HOLDING INC. (CH) 2007-08-16 WO disclosed
EP-1625196-B1 STABLE PARTICULATE COMPOSITION COMPRISING BLEACH CATALYSTS CIBA SC HOLDING AG (CH) 2007-04-11 EP disclosed
US-4781846-A HYDROXYALKYL PIPERAZINE BACTERICIDE IDEMITSU KOSAN LIMITED (JP) 1988-11-01 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 (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-10926213-B2 Sulfur dioxide absorbent is an ionic liquid including a salt of a diamine compound that is substituted with a hydroxyl group SLC9A3, SLC9B2, SLC26A3 SLC18A3 638/4885BCHE 3500/4885ACHE 4311/4885
US-20080000032-A1 Use of Metal Complexes Having Bispyridylpyrimidine or Bispyridyltriazine Ligands as Catalysts for Reactions With Peroxy Compounds for Bleaching Coloured Stains on Hard Surfaces TYR, DPY30, TET2 SLC18A3 4360/4885BCHE 1446/4885ACHE 436/4885
US-20200155997-A1 HYDROXYL GROUP-CONTAINING AMINE-BASED SULFUR DIOXIDE AND SULFUROUS ACID ABSORBENT, AND METHOD FOR PREPARING THE SAME SMOX, DAO, HAO2 SLC18A3 258/4885BCHE 1909/4885ACHE 2575/4885
US-20090044345-A1 Use of Metal Complex Compounds as Oxidation Catalysts MT-CO2, MT-CO1, SOD1 SLC18A3 2590/4885BCHE 2487/4885ACHE 989/4885

“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.