SCHEMBL3864608

SCHEMBL3864608

CC(=O)Nc1cccc(OCCC(CNC(=O)O)c2ccccc2OC(=O)N(C)C)c1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
MAPT P10636 3/20 0.43
ALDH1A1 P00352 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
LMNA P02545 1/20 0.41
HTR7 P34969 1/20 0.41
AHR P35869 1/20 0.40
NR1H4 Q96RI1 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HCRTR1 O43613 1/20 0.39
TDP1 Q9NUW8 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
SCHEMBL3870426 0.91 NPSR1 (0.48) SMN1; SMN2RAB9AMAPTALDH1A1MEN1
SCHEMBL4169717 0.86 MAPT (0.36) SMN1; SMN2NPC1RAB9AMAPTALDH1A1
SCHEMBL6712804 0.79 NPSR1 (0.36) SMN1; SMN2NPC1RAB9AMAPTALDH1A1
SCHEMBL3864605 0.74 NPSR1 (0.48) SMN1; SMN2NPC1RAB9AMAPTALDH1A1
Hydrochloric Acid SCHEMBL3869736 0.73 ACHE (0.59) SMN1; SMN2NPC1RAB9AMAPTALDH1A1
SCHEMBL5197871 0.72 NPSR1 (0.48) SMN1; SMN2RAB9AMAPTALDH1A1MEN1
SCHEMBL3862382 0.72 KDM4E (0.47) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL11546092 0.71 SMN1; SMN2 (0.68) SMN1; SMN2NPC1RAB9AMAPTALDH1A1
SCHEMBL10264545 0.70 SMN1; SMN2 (0.67) SMN1; SMN2NPC1RAB9AMAPTMEN1
SCHEMBL3874630 0.70 KDM4E (0.47) NPC1RAB9AMEN1KMT2A

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 SMN1; SMN2 1114/4885NPC1 459/4885RAB9A 2574/4885
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 SMN1; SMN2 834/4885NPC1 302/4885RAB9A 2346/4885
US-20040067981-A1 Acetylcholinesterase inhibitor; Alzheimer's diseases, Hubtington disease, antidepressants ACHE, BACE1, CHRNA6 SMN1; SMN2 725/4885NPC1 410/4885RAB9A 2016/4885
US-20090149444-A1 Benzylamine analogues HTR4, DRD4, SLC6A4 SMN1; SMN2 974/4885NPC1 623/4885RAB9A 1682/4885
US-20080255095-A1 Benzylamine analogues NR4A3, NAT1, HRH4 SMN1; SMN2 2333/4885NPC1 2941/4885RAB9A 3992/4885

“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.