SCHEMBL3870141

SCHEMBL3870141

CNC(CC(=O)O)c1cccc(O)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 4/20 0.49
ADRB1 P08588 2/20 0.49
ADRA1A P35348 2/20 0.49
ADRB2 P07550 1/20 0.49
HTR1A P08908 1/20 0.49
ADRA2A P08913 1/20 0.49
ADRB3 P13945 1/20 0.49
TSHR P16473 1/20 0.49
ADRA2B P18089 1/20 0.49
ADRA2C P18825 1/20 0.49
NFKB1 P19838 1/20 0.49
DRD1 P21728 1/20 0.49
HTR7 P34969 1/20 0.49
ADRA1B P35368 1/20 0.49
DRD3 P35462 1/20 0.49
RAB9A P51151 1/20 0.49
SLC6A3 Q01959 1/20 0.49
LMNA P02545 3/20 0.47
KDM4E B2RXH2 2/20 0.47
GAA P10253 1/20 0.47

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
SCHEMBL7107685 0.86 HIF1A (0.47) HIF1AADRB1ADRA1AADRB2HTR1A
SCHEMBL23797842 0.84 KYNU (0.51) HIF1AADRB1ADRA1AADRB2HTR1A
SCHEMBL167045 0.83 ALDH1A1 (0.59) LMNACYP26A1ALDH1A1ATML3MBTL1
SCHEMBL2300538 0.83 ALDH1A1 (0.59) LMNACYP26A1ALDH1A1ATML3MBTL1
SCHEMBL1144429 0.83 ALDH1A1 (0.59) LMNACYP26A1ALDH1A1ATML3MBTL1
SCHEMBL13851783 0.83 CTSA (0.51) CYP26A1ALDH1A1
SCHEMBL5633632 0.83 CYP26A1 (0.54) KDM4ECYP26A1
SCHEMBL3870447 0.81 HIF1A (0.43) HIF1AADRB1ADRA1AADRB2HTR1A
SCHEMBL17773011 0.80 ALDH1A1 (0.44) HIF1AADRA1AHTR1ATSHRDRD1
SCHEMBL1528607 0.80 ALDH1A1 (0.44) HIF1AADRA1AHTR1ATSHRDRD1

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 HIF1A 2655/4885ADRB1 193/4885ADRA1A 217/4885
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 HIF1A 2329/4885ADRB1 229/4885ADRA1A 240/4885
US-20040067981-A1 Acetylcholinesterase inhibitor; Alzheimer's diseases, Hubtington disease, antidepressants ACHE, BACE1, CHRNA6 HIF1A 1081/4885ADRB1 68/4885ADRA1A 80/4885
US-20090149444-A1 Benzylamine analogues HTR4, DRD4, SLC6A4 HIF1A 1522/4885ADRB1 107/4885ADRA1A 85/4885
US-20080255095-A1 Benzylamine analogues NR4A3, NAT1, HRH4 HIF1A 2533/4885ADRB1 247/4885ADRA1A 444/4885

“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.