SCHEMBL3864683

SCHEMBL3864683

CNC(CCOc1cccc(Cl)c1)c1ccc(OC(=O)N(C)C)cc1

nearest known ligand 0.63

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ACHE P22303 4/20 0.63
SLC6A4 P31645 2/20 0.63
KDM4E B2RXH2 2/20 0.47
FFAR1 O14842 1/20 0.44
FAAH O00519 2/20 0.41
RAB9A P51151 1/20 0.40
PPARG P37231 1/20 0.40
PPARD Q03181 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
Hydrochloric Acid SCHEMBL3864088 0.99 ACHE (0.62) ACHESLC6A4KDM4EFFAR1FAAH
Hydrochloric Acid SCHEMBL3864505 0.99 ACHE (0.62) ACHESLC6A4KDM4EFFAR1FAAH
Hydrochloric Acid SCHEMBL3864085 0.99 ACHE (0.62) ACHESLC6A4KDM4EFFAR1FAAH
Hydrochloric Acid SCHEMBL3865618 0.92 ACHE (0.53) ACHESLC6A4KDM4E
SCHEMBL3862379 0.90 ACHE (0.51) ACHESLC6A4KDM4EFFAR1FAAH
Hydrochloric Acid SCHEMBL3877485 0.89 ACHE (0.52) ACHESLC6A4KDM4EFFAR1FAAH
SCHEMBL3867266 0.88 ACHE (0.72) ACHESLC6A4RAB9APPARG
SCHEMBL3864804 0.88 ACHE (0.72) ACHESLC6A4RAB9APPARG
Hydrochloric Acid SCHEMBL3868372 0.87 ACHE (0.63) ACHESLC6A4PPARG
Hydrochloric Acid SCHEMBL3867161 0.87 ACHE (0.63) ACHESLC6A4FAAHPPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7504437-B2 Benzylamine analogues BTG INTERNATIONAL LIMITED (GB) 2009-03-17 US claimed
EP-1362844-B1 BENZYLAMINE ANALOGUE BTG INT LTD (GB) 2007-12-05 EP 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 ACHE 17/4885SLC6A4 2/4885KDM4E 1420/4885
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 ACHE 8/4885SLC6A4 1/4885KDM4E 1874/4885
US-20040067981-A1 Acetylcholinesterase inhibitor; Alzheimer's diseases, Hubtington disease, antidepressants ACHE, BACE1, CHRNA6 ACHE 1/4885SLC6A4 25/4885KDM4E 1990/4885
US-20090149444-A1 Benzylamine analogues HTR4, DRD4, SLC6A4 ACHE 24/4885SLC6A4 3/4885KDM4E 2718/4885
US-20080255095-A1 Benzylamine analogues NR4A3, NAT1, HRH4 ACHE 2202/4885SLC6A4 38/4885KDM4E 1803/4885

“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.