SCHEMBL3866007

SCHEMBL3866007

CCN(C(=O)OC(C)(C)C)C(CCO)c1ccc(OC(=O)N(C)C)cc1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.44
BCHE P06276 5/20 0.41
CHRM2 P08172 2/20 0.39
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
ACHE P22303 1/20 0.37
SLC6A4 P31645 1/20 0.37
GAA P10253 1/20 0.36
ALDH1A1 P00352 1/20 0.36
PKM P14618 1/20 0.36
NPSR1 Q6W5P4 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
SCHEMBL3866462 0.87 RAB9A (0.47) RAB9ABCHEKMT2AACHESLC6A4
SCHEMBL4463974 0.81 MEN1 (0.51) RAB9ABCHEKMT2AMEN1ALDH1A1
SCHEMBL3866012 0.80 TSHR (0.38) RAB9ACHRM2PKM
SCHEMBL6950634 0.76 RAB9A (0.53) RAB9ABCHEKMT2AACHESLC6A4
SCHEMBL3866063 0.74 ACHE (0.52) BCHEACHE
SCHEMBL3871277 0.73 RAB9A (0.39) RAB9ABCHEACHE
4-Hydroxybenzaldehyde SCHEMBL6710279 0.72 BCHE (0.39) BCHECHRM2ACHE
SCHEMBL3863973 0.71 ACHE (0.45) RAB9ABCHECHRM2ACHESLC6A4
SCHEMBL4824146 0.70 RAB9A (0.47) RAB9ABCHEKMT2AACHEGAA
SCHEMBL27787946 0.70 CHRNB2 (0.46) GAA

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 RAB9A 2574/4885BCHE 182/4885CHRM2 34/4885
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 RAB9A 2346/4885BCHE 128/4885CHRM2 26/4885
US-20040067981-A1 Acetylcholinesterase inhibitor; Alzheimer's diseases, Hubtington disease, antidepressants ACHE, BACE1, CHRNA6 RAB9A 2016/4885BCHE 51/4885CHRM2 88/4885
US-20090149444-A1 Benzylamine analogues HTR4, DRD4, SLC6A4 RAB9A 1682/4885BCHE 95/4885CHRM2 19/4885
US-20080255095-A1 Benzylamine analogues NR4A3, NAT1, HRH4 RAB9A 3992/4885BCHE 2821/4885CHRM2 192/4885

“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.