SCHEMBL3741407

SCHEMBL3741407

O=[C]CCCCc1c2ccccc2cc2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.46
HTR2A P28223 1/20 0.46
ALDH1A1 P00352 4/20 0.36
CYP1A2 P05177 3/20 0.36
HSD17B10 Q99714 3/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
KDM4E B2RXH2 2/20 0.36
HPGD P15428 2/20 0.36
GLA P06280 1/20 0.36
CYP2C19 P33261 1/20 0.36
GPR35 Q9HC97 2/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
CYP3A4 P08684 1/20 0.35
HIF1A Q16665 1/20 0.33
CYP1B1 Q16678 1/20 0.33
CYP2A6 P11509 1/20 0.33
GAA P10253 1/20 0.33
NCEH1 Q6PIU2 1/20 0.32

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
SCHEMBL1136454 0.87 HTR2A (0.50) L3MBTL1HTR2AALDH1A1CYP1A2HSD17B10
SCHEMBL7875750 0.84 HTR2A (0.60) L3MBTL1HTR2AALDH1A1CYP1A2HSD17B10
SCHEMBL7874386 0.82 HTR2A (0.58) L3MBTL1HTR2AALDH1A1CYP1A2HSD17B10
SCHEMBL7877797 0.82 HTR2A (0.58) L3MBTL1HTR2AALDH1A1CYP1A2HSD17B10
SCHEMBL1609690 0.82 L3MBTL1 (0.46) L3MBTL1HTR2AALDH1A1CYP1A2HSD17B10
SCHEMBL1611934 0.81 L3MBTL1 (0.44) L3MBTL1HTR2AALDH1A1CYP1A2HSD17B10
SCHEMBL1610853 0.81 L3MBTL1 (0.44) L3MBTL1HTR2AALDH1A1CYP1A2HSD17B10
SCHEMBL7877776 0.80 HTR2A (0.60) L3MBTL1HTR2AALDH1A1CYP1A2HSD17B10
SCHEMBL5609365 0.80 TSHR (0.42) ALDH1A1CYP1A2HSD17B10KMT2AKDM4E
SCHEMBL15351102 0.79 HTR2A (0.50) L3MBTL1HTR2AALDH1A1CYP1A2HSD17B10

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7829580-B2 Cyclic amine derivative having heteroaryl ring SANKYO COMPANY, LTD. (JP) 2010-11-09 US disclosed
US-20090306059-A1 CYCLIC AMINE DERIVATIVE HAVING SUBSTITUTED ALKYL GROUP DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-12-10 US disclosed
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-1889835-A1 CYCLIC AMINE DERIVATIVE HAVING SUBSTITUTED ALKYL GROUP Daiichi Sankyo Company, Limited (JP) 2008-02-20 EP disclosed
EP-1206937-B1 NITROIMIDAZOLE EXTERNAL PREPARATIONS FOR THE TREATMENT OF ATOPIC DERMATITIS SHOEI CO LTD (JP) 2008-01-23 EP 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-20060270706-A1 Cyclic amine derivative having heteroaryl ring SANKYO COMPANY, LTD. (JP) 2006-11-30 US disclosed
EP-1695962-A1 CYCLIC AMINE DERIVATIVE HAVING HETEROARYL RING Sankyo Company, Limited (JP) 2006-08-30 EP 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
US-20030092754-A1 External preparation for skin diseases containing nitroimidazole SHOEI CO., LTD. (JP) 2003-05-15 US disclosed
EP-1206937-A1 NITROIMIDAZOLE EXTERNAL PREPARATIONS FOR DERMATOSIS SHOEI CO., LTD. (JP) 2002-05-22 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 (8 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-20060270706-A1 Cyclic amine derivative having heteroaryl ring F12, F2, H1-3 L3MBTL1 926/4885HTR2A 700/4885ALDH1A1 1073/4885
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 L3MBTL1 1224/4885HTR2A 90/4885ALDH1A1 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 L3MBTL1 613/4885HTR2A 78/4885ALDH1A1 1017/4885
US-20040067981-A1 Acetylcholinesterase inhibitor; Alzheimer's diseases, Hubtington disease, antidepressants ACHE, BACE1, CHRNA6 L3MBTL1 1138/4885HTR2A 97/4885ALDH1A1 166/4885
US-20030092754-A1 External preparation for skin diseases containing nitroimidazole IL4I1, NSD1, CUTA L3MBTL1 2080/4885HTR2A 4457/4885ALDH1A1 776/4885
US-20090149444-A1 Benzylamine analogues HTR4, DRD4, SLC6A4 L3MBTL1 1051/4885HTR2A 41/4885ALDH1A1 910/4885
US-20080255095-A1 Benzylamine analogues NR4A3, NAT1, HRH4 L3MBTL1 2873/4885HTR2A 529/4885ALDH1A1 1247/4885
US-20090306059-A1 CYCLIC AMINE DERIVATIVE HAVING SUBSTITUTED ALKYL GROUP CBR3, CNR1, C3AR1 L3MBTL1 709/4885HTR2A 1280/4885ALDH1A1 2601/4885

“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.