SCHEMBL3877174

SCHEMBL3877174

CN(C)C(=O)Oc1ccc([C@@H](CCOc2cccc(Cl)c2)N(C)C(=O)O)cc1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.49
FFAR1 O14842 3/20 0.45
ACHE P22303 2/20 0.42
SLC6A4 P31645 1/20 0.42
PPARG P37231 3/20 0.42
PPARD Q03181 3/20 0.42
CHRNB2 P17787 1/20 0.40
CHRNB4 P30926 1/20 0.40
CHRNA3 P32297 1/20 0.40
CHRNA4 P43681 1/20 0.40

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
Dimethylformamide SCHEMBL6715439 0.95 KDM4E (0.45) KDM4EFFAR1ACHESLC6A4PPARG
SCHEMBL3866649 0.90 KDM4E (0.49) KDM4EFFAR1ACHESLC6A4PPARG
Hydrochloric Acid SCHEMBL3863877 0.89 KDM4E (0.48) KDM4EFFAR1ACHESLC6A4PPARG
SCHEMBL3864605 0.84 NPSR1 (0.48) ACHESLC6A4
SCHEMBL3874630 0.84 KDM4E (0.47) KDM4EFFAR1PPARGPPARD
SCHEMBL3862379 0.82 ACHE (0.51) KDM4EFFAR1ACHESLC6A4PPARG
SCHEMBL3864683 0.82 ACHE (0.63) KDM4EFFAR1ACHESLC6A4PPARG
Hydrochloric Acid SCHEMBL3864088 0.81 ACHE (0.62) KDM4EFFAR1ACHESLC6A4
Hydrochloric Acid SCHEMBL3864505 0.81 ACHE (0.62) KDM4EFFAR1ACHESLC6A4
Hydrochloric Acid SCHEMBL3864085 0.81 ACHE (0.62) KDM4EFFAR1ACHESLC6A4

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 KDM4E 1420/4885FFAR1 686/4885ACHE 17/4885
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 KDM4E 1874/4885FFAR1 748/4885ACHE 8/4885
US-20040067981-A1 Acetylcholinesterase inhibitor; Alzheimer's diseases, Hubtington disease, antidepressants ACHE, BACE1, CHRNA6 KDM4E 1990/4885FFAR1 2437/4885ACHE 1/4885
US-20090149444-A1 Benzylamine analogues HTR4, DRD4, SLC6A4 KDM4E 2718/4885FFAR1 218/4885ACHE 24/4885
US-20080255095-A1 Benzylamine analogues NR4A3, NAT1, HRH4 KDM4E 1803/4885FFAR1 883/4885ACHE 2202/4885

“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.