SCHEMBL3867148

SCHEMBL3867148

CNC(CCOc1ccccc1F)c1ccc(OC(=O)N(C)C)cc1

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.61
SLC6A4 P31645 2/20 0.61
FAAH O00519 3/20 0.47
KDM4E B2RXH2 2/20 0.43
RAB9A P51151 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
ITGB1 P05556 1/20 0.40
ITGA4 P13612 1/20 0.40
ALDH1A1 P00352 1/20 0.40
PKM P14618 1/20 0.40
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 1/20 0.39

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 SCHEMBL3870487 0.99 ACHE (0.60) ACHESLC6A4FAAHKDM4ERAB9A
Hydrochloric Acid SCHEMBL3868025 0.91 ACHE (0.58) ACHESLC6A4FAAHRAB9AITGB1
SCHEMBL3873819 0.89 ACHE (0.59) ACHESLC6A4FAAHRAB9AALDH1A1
Hydrochloric Acid SCHEMBL3874332 0.89 ACHE (0.58) ACHESLC6A4FAAHRAB9AALDH1A1
Hydrochloric Acid SCHEMBL3864660 0.87 ACHE (0.61) ACHESLC6A4RAB9AL3MBTL1ITGB1
Hydrochloric Acid SCHEMBL3864883 0.87 ACHE (0.61) ACHESLC6A4RAB9AL3MBTL1ALDH1A1
SCHEMBL3873100 0.87 ACHE (0.61) ACHESLC6A4RAB9AL3MBTL1ALDH1A1
SCHEMBL3863741 0.86 ACHE (0.72) ACHESLC6A4FAAHKDM4ERAB9A
SCHEMBL3868464 0.86 ACHE (0.58) ACHESLC6A4FAAHKDM4ERAB9A
Hydrochloric Acid SCHEMBL3864955 0.86 ACHE (0.60) ACHESLC6A4RAB9AALDH1A1PKM

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 ACHE 17/4885SLC6A4 2/4885FAAH 421/4885
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 ACHE 8/4885SLC6A4 1/4885FAAH 262/4885
US-20040067981-A1 Acetylcholinesterase inhibitor; Alzheimer's diseases, Hubtington disease, antidepressants ACHE, BACE1, CHRNA6 ACHE 1/4885SLC6A4 25/4885FAAH 305/4885
US-20090149444-A1 Benzylamine analogues HTR4, DRD4, SLC6A4 ACHE 24/4885SLC6A4 3/4885FAAH 473/4885
US-20080255095-A1 Benzylamine analogues NR4A3, NAT1, HRH4 ACHE 2202/4885SLC6A4 38/4885FAAH 3321/4885

“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.