SCHEMBL3873100

SCHEMBL3873100

CNC(CCOc1ccccc1Cl)c1ccc(OC(=O)N(C)C)cc1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.61
SLC6A4 P31645 2/20 0.61
HTR1D P28221 2/20 0.44
KMT2A Q03164 3/20 0.41
PKM P14618 2/20 0.41
MEN1 O00255 2/20 0.41
RAB9A P51151 2/20 0.41
NPC1 O15118 1/20 0.41
TSHR P16473 1/20 0.41
ALDH1A1 P00352 1/20 0.40
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 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 SCHEMBL3864955 0.99 ACHE (0.60) ACHESLC6A4HTR1DKMT2APKM
SCHEMBL3867148 0.87 ACHE (0.61) ACHESLC6A4KMT2APKMRAB9A
Hydrochloric Acid SCHEMBL3864883 0.87 ACHE (0.61) ACHESLC6A4KMT2APKMRAB9A
Hydrochloric Acid SCHEMBL3864660 0.87 ACHE (0.61) ACHESLC6A4RAB9AALDH1A1MAPT
Hydrochloric Acid SCHEMBL3868961 0.87 ACHE (0.56) ACHESLC6A4RAB9A
Hydrochloric Acid SCHEMBL3868818 0.86 ACHE (0.58) ACHESLC6A4RAB9ANPC1TSHR
Hydrochloric Acid SCHEMBL3870487 0.86 ACHE (0.60) ACHESLC6A4KMT2APKMRAB9A
SCHEMBL4468262 0.85 SLC6A4 (0.59) ACHESLC6A4HTR1DKMT2AALDH1A1
Hydrochloric Acid SCHEMBL3873289 0.84 SLC6A4 (0.58) ACHESLC6A4HTR1DKMT2AALDH1A1
SCHEMBL3868464 0.84 ACHE (0.58) ACHESLC6A4KMT2APKMMEN1

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 2/4885HTR1D 46/4885
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 1/4885HTR1D 28/4885
US-20040067981-A1 Acetylcholinesterase inhibitor; Alzheimer's diseases, Hubtington disease, antidepressants ACHE, BACE1, CHRNA6 ACHE 1/4885SLC6A4 25/4885HTR1D 16/4885
US-20090149444-A1 Benzylamine analogues HTR4, DRD4, SLC6A4 ACHE 24/4885SLC6A4 3/4885HTR1D 22/4885
US-20080255095-A1 Benzylamine analogues NR4A3, NAT1, HRH4 ACHE 2202/4885SLC6A4 38/4885HTR1D 245/4885

“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.