SCHEMBL3864882

SCHEMBL3864882

COCOc1cc(OC(=O)N(C)C)ccc1[C@@H](CCO)NC(=O)O

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GPR88 Q9GZN0 1/20 0.36
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
NCEH1 Q6PIU2 1/20 0.35
LMNA P02545 1/20 0.35
ACHE P22303 4/20 0.34
SLC6A4 P31645 1/20 0.34

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
SCHEMBL3874805 0.83 RAB9A (0.43) RAB9AALDH1A1GPR88KMT2AMEN1
SCHEMBL3865830 0.83 RAB9A (0.43) RAB9AALDH1A1GPR88KMT2AMEN1
SCHEMBL3864884 0.80 RAB9A (0.38) RAB9AALDH1A1NCEH1LMNAACHE
SCHEMBL3867460 0.77 ALDH1A1 (0.34) RAB9AALDH1A1LMNAACHE
SCHEMBL3867464 0.77 ALDH1A1 (0.34) RAB9AALDH1A1LMNAACHE
SCHEMBL3865746 0.77 TSHR (0.43) RAB9AALDH1A1KMT2ANCEH1
SCHEMBL3868980 0.76 RAB9A (0.51) RAB9AALDH1A1KMT2AACHESLC6A4
SCHEMBL3874311 0.76 RAB9A (0.51) RAB9AALDH1A1KMT2AACHESLC6A4
SCHEMBL3874325 0.75 ACHE (0.56) ACHE
SCHEMBL3865742 0.75 ACHE (0.56) ACHE

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 2574/4885ALDH1A1 1070/4885GPR88 1811/4885
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 2346/4885ALDH1A1 1017/4885GPR88 2197/4885
US-20040067981-A1 Acetylcholinesterase inhibitor; Alzheimer's diseases, Hubtington disease, antidepressants ACHE, BACE1, CHRNA6 RAB9A 2016/4885ALDH1A1 166/4885GPR88 2905/4885
US-20090149444-A1 Benzylamine analogues HTR4, DRD4, SLC6A4 RAB9A 1682/4885ALDH1A1 910/4885GPR88 1191/4885
US-20080255095-A1 Benzylamine analogues NR4A3, NAT1, HRH4 RAB9A 3992/4885ALDH1A1 1247/4885GPR88 1849/4885

“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.