SCHEMBL3870396

SCHEMBL3870396

COc1ccc2c(c1)CCNC2CC(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 2/20 0.52
OPRM1 P35372 2/20 0.52
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA7 P43166 1/20 0.50
CA9 Q16790 1/20 0.50
CA14 Q9ULX7 1/20 0.50
OPRK1 P41145 1/20 0.49
KMT2A Q03164 3/20 0.49
HTR2C P28335 1/20 0.49
GRIN2D O15399 4/20 0.47
GRIN3B O60391 4/20 0.47
GRIN1 Q05586 4/20 0.47
GRIN2A Q12879 4/20 0.47
GRIN2B Q13224 4/20 0.47
GRIN2C Q14957 4/20 0.47
GRIN3A Q8TCU5 4/20 0.47
KDM1A O60341 2/20 0.46
MEN1 O00255 1/20 0.46
MAPT P10636 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
SCHEMBL11353260 0.86 PPARD (0.48) PPARDOPRM1HTR2CATMSLC6A9
SCHEMBL8469394 0.85 KMT2A (0.60) PPARDOPRM1CA1CA2CA7
SCHEMBL9582419 0.85 OPRM1 (0.51) PPARDOPRM1CA1CA2CA7
SCHEMBL7715339 0.81 BCHE (0.60) KMT2AGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL25316370 0.81 CA1 (0.54) OPRM1CA1CA2CA7CA9
SCHEMBL17732736 0.81 KMT2A (0.60) OPRM1CA1CA2CA7CA9
SCHEMBL329885 0.81 KMT2A (0.60) OPRM1CA1CA2CA7CA9
Water SCHEMBL6489575 0.80 BCHE (0.58) KMT2AGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL16057217 0.80 TSHR (0.56) PPARDOPRM1CA1CA2CA7
Hydrochloric Acid SCHEMBL330054 0.80 KMT2A (0.59) OPRM1CA1CA2CA7CA9

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 PPARD 3170/4885OPRM1 88/4885CA1 238/4885
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 PPARD 2900/4885OPRM1 89/4885CA1 278/4885
US-20040067981-A1 Acetylcholinesterase inhibitor; Alzheimer's diseases, Hubtington disease, antidepressants ACHE, BACE1, CHRNA6 PPARD 3803/4885OPRM1 108/4885CA1 199/4885
US-20090149444-A1 Benzylamine analogues HTR4, DRD4, SLC6A4 PPARD 3422/4885OPRM1 66/4885CA1 892/4885
US-20080255095-A1 Benzylamine analogues NR4A3, NAT1, HRH4 PPARD 1657/4885OPRM1 118/4885CA1 1907/4885

“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.