SCHEMBL3868073

SCHEMBL3868073

O=C(COc1ccc(Cl)cc1)c1ccc(O)cc1

nearest known ligand 0.83

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.63
RAB9A P51151 2/20 0.63
NPSR1 Q6W5P4 1/20 0.63
KDM4E B2RXH2 1/20 0.57
LMNA P02545 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
NPC1 O15118 1/20 0.57

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
SCHEMBL6325847 0.93 MAPT (0.64) MAPTRAB9ANPSR1KDM4ELMNA
SCHEMBL6202777 0.85 MAPT (0.64) MAPTRAB9AKDM4ELMNAL3MBTL1
SCHEMBL6318934 0.85 MAPT (0.78) MAPTRAB9ANPSR1KDM4ELMNA
SCHEMBL6319805 0.85 MAPT (0.68) MAPTRAB9ANPSR1KDM4ELMNA
SCHEMBL6321338 0.85 MAPT (0.64) MAPTRAB9AKDM4ELMNAL3MBTL1
SCHEMBL6204121 0.85 LMNA (0.64) MAPTRAB9ANPSR1KDM4ELMNA
SCHEMBL6326562 0.85 LMNA (0.64) MAPTRAB9ANPSR1KDM4ELMNA
SCHEMBL6328277 0.85 MAPT (0.64) MAPTRAB9AKDM4ELMNAL3MBTL1
SCHEMBL6205126 0.84 L3MBTL1 (0.60) MAPTRAB9AKDM4ELMNAL3MBTL1
SCHEMBL658106 0.84 MAPT (0.64) MAPTRAB9ANPSR1KDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 MAPT 687/4885RAB9A 2574/4885NPSR1 119/4885
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 MAPT 413/4885RAB9A 2346/4885NPSR1 154/4885
US-20040067981-A1 Acetylcholinesterase inhibitor; Alzheimer's diseases, Hubtington disease, antidepressants ACHE, BACE1, CHRNA6 MAPT 237/4885RAB9A 2016/4885NPSR1 864/4885
US-20090149444-A1 Benzylamine analogues HTR4, DRD4, SLC6A4 MAPT 1050/4885RAB9A 1682/4885NPSR1 69/4885
US-20080255095-A1 Benzylamine analogues NR4A3, NAT1, HRH4 MAPT 4599/4885RAB9A 3992/4885NPSR1 59/4885

“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.