SCHEMBL3865722

SCHEMBL3865722

Cc1cccc(C(CCO)NC(=O)O)c1OC(=O)N(C)C

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.37
ALDH1A1 P00352 2/20 0.37
RAB9A P51151 2/20 0.37
NPC1 O15118 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.35
NCEH1 Q6PIU2 2/20 0.35
ACHE P22303 1/20 0.33
KDM4E B2RXH2 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CTSA P10619 1/20 0.33

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
SCHEMBL3865832 0.84 NCEH1 (0.42) TSHRRAB9ANPC1NCEH1ACHE
SCHEMBL3865746 0.84 TSHR (0.43) TSHRALDH1A1RAB9ANPC1NCEH1
SCHEMBL3874805 0.78 RAB9A (0.43) TSHRALDH1A1RAB9ANCEH1ACHE
SCHEMBL3865830 0.78 RAB9A (0.43) TSHRALDH1A1RAB9ANCEH1ACHE
SCHEMBL6950134 0.77 TSHR (0.47) TSHRSMN1; SMN2ALDH1A1RAB9ANPC1
SCHEMBL3865742 0.77 ACHE (0.56) ACHE
SCHEMBL3874325 0.77 ACHE (0.56) ACHE
SCHEMBL3868980 0.74 RAB9A (0.51) ALDH1A1RAB9AACHE
SCHEMBL3874311 0.74 RAB9A (0.51) ALDH1A1RAB9AACHE
SCHEMBL3865720 0.74 NCEH1 (0.41) ALDH1A1NCEH1ACHE

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 TSHR 236/4885SMN1; SMN2 1114/4885ALDH1A1 1070/4885
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 TSHR 147/4885SMN1; SMN2 834/4885ALDH1A1 1017/4885
US-20040067981-A1 Acetylcholinesterase inhibitor; Alzheimer's diseases, Hubtington disease, antidepressants ACHE, BACE1, CHRNA6 TSHR 1284/4885SMN1; SMN2 725/4885ALDH1A1 166/4885
US-20090149444-A1 Benzylamine analogues HTR4, DRD4, SLC6A4 TSHR 89/4885SMN1; SMN2 974/4885ALDH1A1 910/4885
US-20080255095-A1 Benzylamine analogues NR4A3, NAT1, HRH4 TSHR 442/4885SMN1; SMN2 2333/4885ALDH1A1 1247/4885

“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.