SCHEMBL3864706

SCHEMBL3864706

COCOc1cc(OC(C)=O)ccc1CC(N)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.43
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
HSP90AA1 P07900 1/20 0.40
HSP90AB1 P08238 1/20 0.40
LTA4H P09960 1/20 0.40
PLA2G2A P14555 1/20 0.40
SLC7A5 Q01650 3/20 0.40
ITGB3 P05106 1/20 0.40
ITGA2B P08514 1/20 0.40
MAPT P10636 2/20 0.39
MAPK1 P28482 1/20 0.39
BLM P54132 2/20 0.39
NR1I2 O75469 1/20 0.39
PPARG P37231 1/20 0.39
AGTR2 P50052 1/20 0.39
PTPN1 P18031 3/20 0.39
NOS3 P29474 1/20 0.39
NOS1 P29475 1/20 0.39
NOS2 P35228 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
SCHEMBL9847986 0.79 THRB (0.46) KDM4EMEN1KMT2ASLC7A5ITGB3
SCHEMBL9847992 0.79 THRB (0.46) KDM4EMEN1KMT2ASLC7A5ITGB3
SCHEMBL14150184 0.79 TPH1 (0.41) KDM4EMEN1KMT2AHSP90AA1HSP90AB1
SCHEMBL29519833 0.77 HSD17B10 (0.49) KDM4EMEN1KMT2AMAPTBLM
SCHEMBL3864708 0.77 KDM4E (0.42) KDM4EKMT2AMAPTMAPK1PTPN1
SCHEMBL12831820 0.76 MEN1 (0.43) MEN1KMT2AHSP90AA1HSP90AB1LTA4H
Hydrochloric Acid SCHEMBL8862614 0.76 HSD17B10 (0.48) MEN1KMT2AUSP2PKMRGS12
SCHEMBL30605287 0.76 ITGB3 (0.61) KDM4EMEN1KMT2ASLC7A5ITGB3
SCHEMBL29641573 0.76 ITGB3 (0.61) KDM4EMEN1KMT2ASLC7A5ITGB3
SCHEMBL13410489 0.74 MEN1 (0.42) MEN1KMT2AHSP90AA1HSP90AB1LTA4H

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 1420/4885MEN1 3004/4885KMT2A 1565/4885
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 1874/4885MEN1 2350/4885KMT2A 2146/4885
US-20040067981-A1 Acetylcholinesterase inhibitor; Alzheimer's diseases, Hubtington disease, antidepressants ACHE, BACE1, CHRNA6 KDM4E 1990/4885MEN1 2666/4885KMT2A 1769/4885
US-20090149444-A1 Benzylamine analogues HTR4, DRD4, SLC6A4 KDM4E 2718/4885MEN1 2911/4885KMT2A 2169/4885
US-20080255095-A1 Benzylamine analogues NR4A3, NAT1, HRH4 KDM4E 1803/4885MEN1 2193/4885KMT2A 2769/4885

“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.