SCHEMBL3873314

SCHEMBL3873314

CCNC(=O)Oc1cccc(C(CCc2ccc(OC)cc2)NC)c1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
GAA P10253 1/20 0.46
TAAR1 Q96RJ0 1/20 0.46
GLA P06280 1/20 0.42
KMT2A Q03164 1/20 0.42
MTNR1A P48039 4/20 0.42
MTNR1B P49286 4/20 0.42
CASR P41180 2/20 0.41
ALDH1A1 P00352 1/20 0.41
UTS2R Q9UKP6 1/20 0.40
FAAH O00519 1/20 0.40
BCHE P06276 1/20 0.40
ACHE P22303 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
Hydrochloric Acid SCHEMBL3862801 0.99 NPC1 (0.46) NPC1RAB9AGAATAAR1GLA
SCHEMBL3863040 0.83 ACHE (0.51) UTS2RBCHEACHE
Hydrochloric Acid SCHEMBL3864932 0.83 ACHE (0.50) BCHEACHE
SCHEMBL3868386 0.80 NPC1 (0.40) NPC1RAB9AGAATAAR1GLA
Hydrochloric Acid SCHEMBL3868930 0.77 FAAH (0.47) FAAHBCHEACHE
SCHEMBL5702214 0.75 MTNR1B (0.56) MTNR1AMTNR1B
SCHEMBL25847360 0.74 BCHE (0.51) KMT2AALDH1A1FAAHBCHEACHE
SCHEMBL6709133 0.74 ACHE (0.41) UTS2RBCHEACHE
SCHEMBL13911210 0.72 GAA (0.59) NPC1RAB9AGAATAAR1GLA
Hydrochloric Acid SCHEMBL3866584 0.72 ACHE (0.50) BCHEACHE

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 NPC1 459/4885RAB9A 2574/4885GAA 1030/4885
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 NPC1 302/4885RAB9A 2346/4885GAA 695/4885
US-20040067981-A1 Acetylcholinesterase inhibitor; Alzheimer's diseases, Hubtington disease, antidepressants ACHE, BACE1, CHRNA6 NPC1 410/4885RAB9A 2016/4885GAA 433/4885
US-20090149444-A1 Benzylamine analogues HTR4, DRD4, SLC6A4 NPC1 623/4885RAB9A 1682/4885GAA 720/4885
US-20080255095-A1 Benzylamine analogues NR4A3, NAT1, HRH4 NPC1 2941/4885RAB9A 3992/4885GAA 4831/4885

“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.