SCHEMBL3733846

SCHEMBL3733846

CC([C]=O)(c1cccc2ccccc12)C(c1ccccc1)c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACP3 P15309 1/20 0.36
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 1/20 0.36
HSD17B10 Q99714 1/20 0.36
KCNH2 Q12809 5/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
KIF11 P52732 1/20 0.35
SLC6A4 P31645 1/20 0.34
NR4A1 P22736 1/20 0.33
NR4A2 P43354 1/20 0.33
NR4A3 Q92570 1/20 0.33
CYP2A6 P11509 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
SCHEMBL3733847 0.78 SLC6A4 (0.40) ACP3ALDH1A1KDM4EHSD17B10KCNH2
SCHEMBL3223599 0.74 ALDH1A1 (0.40) ACP3ALDH1A1KDM4EHSD17B10MEN1
SCHEMBL27614634 0.71 CA1 (0.40) ACP3ALDH1A1KDM4EHSD17B10MEN1
SCHEMBL6711112 0.70 CA1 (0.41) ACP3ALDH1A1KDM4EHSD17B10MEN1
SCHEMBL9209099 0.70 KIF11 (0.40) ACP3ALDH1A1HSD17B10KCNH2KIF11
SCHEMBL8492035 0.69 KIF11 (0.40) ACP3ALDH1A1KDM4EHSD17B10MEN1
SCHEMBL7530853 0.68 SLC6A4 (0.49) ACP3ALDH1A1SLC6A4CYP2A6
SCHEMBL8377365 0.68 ALDH1A1 (0.44) ACP3ALDH1A1KDM4EHSD17B10MEN1
SCHEMBL4847089 0.68 RIPK1 (0.36) KDM4EKCNH2MEN1KMT2ASLC6A4
SCHEMBL7338740 0.68 KDM4E (0.42) ACP3ALDH1A1KDM4EHSD17B10MEN1

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 15 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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 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 ACP3 2891/4885ALDH1A1 1073/4885KDM4E 2289/4885
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 ACP3 2438/4885ALDH1A1 1070/4885KDM4E 1420/4885
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 ACP3 2419/4885ALDH1A1 1017/4885KDM4E 1874/4885
US-20040067981-A1 Acetylcholinesterase inhibitor; Alzheimer's diseases, Hubtington disease, antidepressants ACHE, BACE1, CHRNA6 ACP3 3030/4885ALDH1A1 166/4885KDM4E 1990/4885
US-20090149444-A1 Benzylamine analogues HTR4, DRD4, SLC6A4 ACP3 3539/4885ALDH1A1 910/4885KDM4E 2718/4885
US-20080255095-A1 Benzylamine analogues NR4A3, NAT1, HRH4 ACP3 4116/4885ALDH1A1 1247/4885KDM4E 1803/4885
US-20090306059-A1 CYCLIC AMINE DERIVATIVE HAVING SUBSTITUTED ALKYL GROUP CBR3, CNR1, C3AR1 ACP3 4500/4885ALDH1A1 2601/4885KDM4E 2035/4885

“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.