SCHEMBL3873233

SCHEMBL3873233

CNC(CCOc1ccc(SC)cc1)c1ccc(OC(=O)N(C)C)cc1

nearest known ligand 0.71

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 3/20 0.71
ACHE P22303 2/20 0.71
RAB9A P51151 1/20 0.44
BCHE P06276 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
FAAH O00519 3/20 0.39
HRH3 Q9Y5N1 1/20 0.37
GAA P10253 1/20 0.36

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
SCHEMBL4558875 1.00 SLC6A4 (0.71) SLC6A4ACHERAB9ABCHENPSR1
SCHEMBL4559399 1.00 SLC6A4 (0.71) SLC6A4ACHERAB9ABCHENPSR1
Hydrochloric Acid SCHEMBL3864519 0.99 SLC6A4 (0.70) SLC6A4ACHERAB9ABCHENPSR1
Hydrochloric Acid SCHEMBL3862791 0.99 SLC6A4 (0.70) SLC6A4ACHERAB9ABCHENPSR1
Hydrochloric Acid SCHEMBL3868821 0.99 SLC6A4 (0.70) SLC6A4ACHERAB9ABCHENPSR1
Hydrochloric Acid SCHEMBL3868973 0.87 ACHE (0.72) SLC6A4ACHERAB9ABCHENPSR1
SCHEMBL3863741 0.87 ACHE (0.72) SLC6A4ACHERAB9AFAAH
SCHEMBL3864804 0.87 ACHE (0.72) SLC6A4ACHERAB9AHRH3
SCHEMBL3867266 0.87 ACHE (0.72) SLC6A4ACHERAB9AHRH3
Hydrochloric Acid SCHEMBL3863685 0.87 ACHE (0.72) SLC6A4ACHERAB9ABCHEFAAH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7514475-B2 Benzylamine analogues BTG INTERNATIONAL LIMITED (GB) 2009-04-07 US claimed
US-20090149444-A1 Benzylamine analogues BTG INTERNATIONAL LIMITED (GB) 2009-06-11 US disclosed
US-7514475-B2 Benzylamine analogues BTG INTERNATIONAL LIMITED (GB) 2009-04-07 US disclosed
US-7504437-B2 Benzylamine analogues BTG INTERNATIONAL LIMITED (GB) 2009-03-17 US disclosed
US-7504393-B2 Benzylamine analogues BTG INTERNATIONAL LIMITED (GB) 2009-03-17 US disclosed
US-20080255095-A1 Benzylamine analogues BTG INTERNATIONAL LIMITED (GB) 2008-10-16 US disclosed
EP-1362844-B1 BENZYLAMINE ANALOGUE BTG INT LTD (GB) 2007-12-05 EP disclosed
US-20070037795-A1 2-methyl-1-[2-(4-nitrophenoxy)-ethyl]-1,2,3,4-tetrahydroisoquinolin-6-yl dimethylcarbamate; Acetylcholinesterase inhibitors; selective serotonin reuptake inhibitory; Alzheimer's disease, depression, Huntington's chorea, Pick's disease, tardive dyskinesia, compulsive disorders or panic disorders BTG INTERNATIONAL LIMITED (GB) 2007-02-15 US disclosed
US-20070037793-A1 2-methyl-1-[2-(4-nitrophenoxy)-ethyl]-1,2,3,4-tetrahydroisoquinolin-6-yl dimethylcarbamate; Acetylcholinesterase inhibitors; selective serotonin reuptake inhibitory; Alzheimer's disease, depression, Huntington's chorea, Pick's disease, tardive dyskinesia, compulsive disorders or panic disorders BTG INTERNATIONAL LIMITED (GB) 2007-02-15 US disclosed
US-20040067981-A1 Acetylcholinesterase inhibitor; Alzheimer's diseases, Hubtington disease, antidepressants SANKYO COMPANY, LIMITED (JP) 2004-04-08 US disclosed
EP-1362844-A1 BENZYLAMINE ANALOGUE Sankyo Company, Limited (JP) 2003-11-19 EP 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 (5 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-20070037793-A1 2-methyl-1-[2-(4-nitrophenoxy)-ethyl]-1,2,3,4-tetrahydroisoquinolin-6-yl dimethylcarbamate; Acetylcholinesterase inhibitors; selective serotonin reuptake inhibitory; Alzheimer's disease, depression, Huntington's chorea, Pick's disease, tardive dyskinesia, compulsive disorders or panic disorders CHRNA4, SLC6A4, DRD4 SLC6A4 2/4885ACHE 17/4885RAB9A 2574/4885
US-20070037795-A1 2-methyl-1-[2-(4-nitrophenoxy)-ethyl]-1,2,3,4-tetrahydroisoquinolin-6-yl dimethylcarbamate; Acetylcholinesterase inhibitors; selective serotonin reuptake inhibitory; Alzheimer's disease, depression, Huntington's chorea, Pick's disease, tardive dyskinesia, compulsive disorders or panic disorders SLC6A4, SLC6A3, HTR4 SLC6A4 1/4885ACHE 8/4885RAB9A 2346/4885
US-20040067981-A1 Acetylcholinesterase inhibitor; Alzheimer's diseases, Hubtington disease, antidepressants ACHE, BACE1, CHRNA6 SLC6A4 25/4885ACHE 1/4885RAB9A 2016/4885
US-20090149444-A1 Benzylamine analogues HTR4, DRD4, SLC6A4 SLC6A4 3/4885ACHE 24/4885RAB9A 1682/4885
US-20080255095-A1 Benzylamine analogues NR4A3, NAT1, HRH4 SLC6A4 38/4885ACHE 2202/4885RAB9A 3992/4885

“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.