SCHEMBL3870557

SCHEMBL3870557

COc1ccc2c(c1)CCN[C@@H]2CCO[Si](C)(C)C(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.44
HTR2C P28335 1/20 0.43
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
GRIN2D O15399 4/20 0.40
GRIN3B O60391 4/20 0.40
GRIN1 Q05586 4/20 0.40
GRIN2A Q12879 4/20 0.40
GRIN2B Q13224 4/20 0.40
GRIN2C Q14957 4/20 0.40
GRIN3A Q8TCU5 4/20 0.40
OPRM1 P35372 2/20 0.40
KDM4C Q9H3R0 1/20 0.39
KDM1A O60341 1/20 0.39
RAB9A P51151 1/20 0.38
OPRK1 P41145 1/20 0.38
DRD1 P21728 1/20 0.37

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
Trifluoroacetamide SCHEMBL3864676 0.90 KDM1A (0.42) KMT2AHTR2CCA1CA2CA7
SCHEMBL10837762 0.79 HTR2C (0.52) KMT2AHTR2CCA1CA2CA7
SCHEMBL14355542 0.78 CA1 (0.52) KMT2AHTR2CCA1CA2CA7
SCHEMBL25316370 0.75 CA1 (0.54) KMT2AHTR2CCA1CA2CA7
SCHEMBL17732736 0.75 KMT2A (0.60) KMT2AHTR2CCA1CA2CA7
SCHEMBL329885 0.75 KMT2A (0.60) KMT2AHTR2CCA1CA2CA7
Hydrochloric Acid SCHEMBL330054 0.74 KMT2A (0.59) KMT2AHTR2CCA1CA2CA7
SCHEMBL7744268 0.74 GRIN2B (0.47) KMT2AHTR2CCA1CA2CA7
SCHEMBL24326795 0.73 KMT2A (0.39) KMT2AKDM4CRAB9A
SCHEMBL329884 0.73 HTR2C (0.51) KMT2AHTR2CCA1CA2CA7

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
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

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 KMT2A 1565/4885HTR2C 27/4885CA1 238/4885
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 KMT2A 2146/4885HTR2C 13/4885CA1 278/4885
US-20040067981-A1 Acetylcholinesterase inhibitor; Alzheimer's diseases, Hubtington disease, antidepressants ACHE, BACE1, CHRNA6 KMT2A 1769/4885HTR2C 26/4885CA1 199/4885
US-20090149444-A1 Benzylamine analogues HTR4, DRD4, SLC6A4 KMT2A 2169/4885HTR2C 20/4885CA1 892/4885
US-20080255095-A1 Benzylamine analogues NR4A3, NAT1, HRH4 KMT2A 2769/4885HTR2C 167/4885CA1 1907/4885

“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.