SCHEMBL3863994

SCHEMBL3863994

CCOC(=O)CC(c1ccc(OCc2ccccc2)cc1)N(C)C(=O)OC(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
NR1H4 Q96RI1 1/20 0.46
PRKCA P17252 2/20 0.45
PRKCD Q05655 2/20 0.45
ALOX5 P09917 3/20 0.45
ALDH1A1 P00352 1/20 0.43
LTA4H P09960 1/20 0.43
FFAR1 O14842 2/20 0.43

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
SCHEMBL27494275 0.87 CHRNB2 (0.42) L3MBTL1ALDH1A1
SCHEMBL3864552 0.84 KMT2A (0.38) LMNAL3MBTL1ALDH1A1
SCHEMBL3870763 0.83 ALOX5 (0.49) PRKCAPRKCDALOX5LTA4HFFAR1
SCHEMBL3868548 0.81 ALOX5 (0.47) PRKCAPRKCDALOX5LTA4HFFAR1
SCHEMBL3864851 0.80 ALOX5 (0.48) PRKCAPRKCDALOX5LTA4HFFAR1
SCHEMBL3864566 0.78 OPRK1 (0.38) L3MBTL1
SCHEMBL232540 0.77 LMNA (0.59) LMNAL3MBTL1NR1H4PRKCAPRKCD
SCHEMBL6538982 0.76 ALOX5 (0.53) LMNAL3MBTL1NR1H4PRKCAPRKCD
SCHEMBL20165985 0.76 CHRNB2 (0.47) LMNAL3MBTL1ALDH1A1
SCHEMBL6710281 0.75 ALOX5 (0.44) PRKCAPRKCDALOX5LTA4HFFAR1

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 LMNA 4517/4885L3MBTL1 1224/4885NR1H4 814/4885
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 LMNA 4414/4885L3MBTL1 613/4885NR1H4 1460/4885
US-20040067981-A1 Acetylcholinesterase inhibitor; Alzheimer's diseases, Hubtington disease, antidepressants ACHE, BACE1, CHRNA6 LMNA 3690/4885L3MBTL1 1138/4885NR1H4 2411/4885
US-20090149444-A1 Benzylamine analogues HTR4, DRD4, SLC6A4 LMNA 3778/4885L3MBTL1 1051/4885NR1H4 968/4885
US-20080255095-A1 Benzylamine analogues NR4A3, NAT1, HRH4 LMNA 4424/4885L3MBTL1 2873/4885NR1H4 322/4885

“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.