SCHEMBL3874630

SCHEMBL3874630

CN(C)C(=O)Oc1ccccc1C(CCOc1cccc(Cl)c1)N(C)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.47
PPARG P37231 2/20 0.41
PPARD Q03181 2/20 0.41
HTT P42858 1/20 0.40
DRD2 P14416 1/20 0.40
DRD4 P21917 1/20 0.40
SLC6A9 P48067 1/20 0.39
FFAR1 O14842 2/20 0.39
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38

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 SCHEMBL6715442 0.95 KDM4E (0.43) KDM4EPPARGPPARDHTTDRD2
SCHEMBL3864617 0.89 PPARG (0.45) KDM4EPPARGMEN1KMT2A
SCHEMBL3862382 0.84 KDM4E (0.47) KDM4EPPARGPPARDHTTDRD2
SCHEMBL3877174 0.84 KDM4E (0.49) KDM4EPPARGPPARDFFAR1
Dimethylformamide SCHEMBL6715439 0.80 KDM4E (0.45) KDM4EPPARGPPARDFFAR1MEN1
SCHEMBL6950641 0.78 TSHR (0.46) NPC1RAB9AKMT2A
SCHEMBL3874788 0.77 F2 (0.36)
SCHEMBL3866649 0.76 KDM4E (0.49) KDM4EPPARGPPARDFFAR1RAB9A
Hydrochloric Acid SCHEMBL3863877 0.75 KDM4E (0.48) KDM4EPPARGPPARDFFAR1RAB9A
Hydrochloric Acid SCHEMBL3862950 0.75 ACHE (0.53) KDM4E

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 1420/4885PPARG 2932/4885PPARD 3170/4885
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 1874/4885PPARG 2631/4885PPARD 2900/4885
US-20040067981-A1 Acetylcholinesterase inhibitor; Alzheimer's diseases, Hubtington disease, antidepressants ACHE, BACE1, CHRNA6 KDM4E 1990/4885PPARG 3650/4885PPARD 3803/4885
US-20090149444-A1 Benzylamine analogues HTR4, DRD4, SLC6A4 KDM4E 2718/4885PPARG 3434/4885PPARD 3422/4885
US-20080255095-A1 Benzylamine analogues NR4A3, NAT1, HRH4 KDM4E 1803/4885PPARG 2638/4885PPARD 1657/4885

“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.