SCHEMBL3868528

SCHEMBL3868528

CON(C)C(=O)COc1ccc(Cl)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.55
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2C19 P33261 1/20 0.54
PKM P14618 1/20 0.53
RAB9A P51151 1/20 0.53
BLM P54132 1/20 0.52
PMP22 Q01453 1/20 0.52
MEN1 O00255 1/20 0.50
ALDH1A1 P00352 1/20 0.50
KMT2A Q03164 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
MAPT P10636 2/20 0.49
TP53 P04637 1/20 0.49
TRPM8 Q7Z2W7 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.47
POLB P06746 1/20 0.47
SENP2 Q9HC62 1/20 0.47
SENP1 Q9P0U3 1/20 0.47
MAPK1 P28482 1/20 0.46

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
SCHEMBL13472196 0.85 TRPM8 (0.53) MEN1ALDH1A1KMT2AMAPTTP53
SCHEMBL9749821 0.84 SMN1; SMN2 (0.65) PTGS2CYP1A2CYP3A4CYP2C19BLM
SCHEMBL2445588 0.83 MAPT (0.46) PTGS2CYP1A2CYP3A4CYP2C19PKM
SCHEMBL2795176 0.83 POLB (0.58) MEN1ALDH1A1KMT2AMAPTTP53
SCHEMBL1619155 0.83 MAPT (0.48) RAB9AMEN1ALDH1A1KMT2AMAPT
SCHEMBL4842036 0.83 SMN1; SMN2 (0.63) RAB9AMEN1KMT2ATRPM8SMN1; SMN2
SCHEMBL27002783 0.79 RAB9A (0.37) PTGS2CYP1A2CYP3A4CYP2C19PKM
SCHEMBL8549681 0.78 KMT2A (0.62) CYP1A2RAB9AMEN1ALDH1A1KMT2A
SCHEMBL3864570 0.78 PTGS2 (0.59) PTGS2MEN1ALDH1A1KMT2AMAPT
SCHEMBL10090169 0.78 CYP1A2 (0.56) PTGS2CYP1A2CYP3A4CYP2C19PKM

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 PTGS2 4255/4885CYP1A2 1113/4885CYP3A4 171/4885
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 PTGS2 3923/4885CYP1A2 1274/4885CYP3A4 206/4885
US-20040067981-A1 Acetylcholinesterase inhibitor; Alzheimer's diseases, Hubtington disease, antidepressants ACHE, BACE1, CHRNA6 PTGS2 3672/4885CYP1A2 861/4885CYP3A4 566/4885
US-20090149444-A1 Benzylamine analogues HTR4, DRD4, SLC6A4 PTGS2 4452/4885CYP1A2 710/4885CYP3A4 204/4885
US-20080255095-A1 Benzylamine analogues NR4A3, NAT1, HRH4 PTGS2 3561/4885CYP1A2 348/4885CYP3A4 83/4885

“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.