SCHEMBL3864669

SCHEMBL3864669

CN(C)C(=O)Oc1ccc(C(CCOc2cccc(F)c2)N(C)C)cc1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.48
CHRNB4 P30926 2/20 0.48
CHRNA3 P32297 2/20 0.48
CHRNA4 P43681 2/20 0.48
ACHE P22303 3/20 0.45
SLC6A4 P31645 1/20 0.44
RAB9A P51151 1/20 0.42
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
KMT2A Q03164 1/20 0.41
OPRM1 P35372 2/20 0.41
OPRD1 P41143 2/20 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
Hydrochloric Acid SCHEMBL3870542 0.99 CHRNB2 (0.47) CHRNB2CHRNB4CHRNA3CHRNA4ACHE
Hydrochloric Acid SCHEMBL3872341 0.89 CHRNB2 (0.47) CHRNB2CHRNB4CHRNA3CHRNA4ACHE
SCHEMBL3870465 0.87 ACHE (0.51) CHRNB2CHRNB4CHRNA3CHRNA4ACHE
SCHEMBL3866649 0.87 KDM4E (0.49) CHRNB2CHRNB4CHRNA3CHRNA4ACHE
SCHEMBL3870442 0.86 CHRNB2 (0.47) CHRNB2CHRNB4CHRNA3CHRNA4ACHE
Hydrochloric Acid SCHEMBL3866226 0.86 ACHE (0.50) CHRNB2CHRNB4CHRNA3CHRNA4ACHE
Hydrochloric Acid SCHEMBL3863877 0.86 KDM4E (0.48) CHRNB2CHRNB4CHRNA3CHRNA4ACHE
Hydrochloric Acid SCHEMBL3869802 0.85 CHRNB2 (0.46) CHRNB2CHRNB4CHRNA3CHRNA4ACHE
Hydrochloric Acid SCHEMBL3864627 0.85 CHRNB2 (0.46) CHRNB2CHRNB4CHRNA3CHRNA4ACHE
Hydrochloric Acid SCHEMBL3864622 0.85 CHRNB2 (0.46) CHRNB2CHRNB4CHRNA3CHRNA4ACHE

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 CHRNB2 29/4885CHRNB4 4/4885CHRNA3 8/4885
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 CHRNB2 39/4885CHRNB4 6/4885CHRNA3 17/4885
US-20040067981-A1 Acetylcholinesterase inhibitor; Alzheimer's diseases, Hubtington disease, antidepressants ACHE, BACE1, CHRNA6 CHRNB2 24/4885CHRNB4 14/4885CHRNA3 10/4885
US-20090149444-A1 Benzylamine analogues HTR4, DRD4, SLC6A4 CHRNB2 56/4885CHRNB4 12/4885CHRNA3 34/4885
US-20080255095-A1 Benzylamine analogues NR4A3, NAT1, HRH4 CHRNB2 1165/4885CHRNB4 205/4885CHRNA3 265/4885

“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.