SCHEMBL3870282

SCHEMBL3870282

CCN(CC)C(=O)Oc1ccccc1C(CCOc1ccc(F)cc1)N(C)C(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HSD17B10 Q99714 1/20 0.37
FAAH O00519 4/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
CACNA1H O95180 1/20 0.36
HCRTR1 O43613 1/20 0.35
HCRTR2 O43614 1/20 0.35
KDM4E B2RXH2 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HPGD P15428 1/20 0.35
MMP13 P45452 1/20 0.35

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
SCHEMBL3863051 0.91 MAOA (0.38) MAOAMAOBCYP1A2CYP2D6CYP2C19
SCHEMBL4463979 0.84 HSD17B10 (0.43) MAOAMAOBL3MBTL1HSD17B10MEN1
SCHEMBL3870281 0.83 ACHE (0.40) MAOAMAOBL3MBTL1FAAHMEN1
SCHEMBL3863979 0.83 ACHE (0.37) TDP1MMP13
SCHEMBL3867127 0.80 ACHE (0.53) L3MBTL1MEN1KMT2ASMN1; SMN2
SCHEMBL3868377 0.78 KMT2A (0.38) MAOAMAOBMEN1KMT2A
SCHEMBL3865158 0.77 RBP4 (0.41) MEN1KMT2AKDM4ESMN1; SMN2HPGD
SCHEMBL3874788 0.77 F2 (0.36) MAOBSMN1; SMN2MMP13
SCHEMBL3870406 0.76 CYP3A4 (0.36) FAAHKDM4ESMN1; SMN2
SCHEMBL3873468 0.76 KDM4E (0.39) MAOAMAOBCYP1A2CYP2D6CYP2C19

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 9 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
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 (4 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 MAOA 41/4885MAOB 26/4885CYP1A2 1113/4885
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 MAOA 49/4885MAOB 44/4885CYP1A2 1274/4885
US-20040067981-A1 Acetylcholinesterase inhibitor; Alzheimer's diseases, Hubtington disease, antidepressants ACHE, BACE1, CHRNA6 MAOA 21/4885MAOB 39/4885CYP1A2 861/4885
US-20090149444-A1 Benzylamine analogues HTR4, DRD4, SLC6A4 MAOA 23/4885MAOB 36/4885CYP1A2 710/4885

“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.