Trifluoroacetamide

Trifluoroacetamide

SCHEMBL3864680

COc1ccc2c(c1)CCN[C@@H]2CC(O[SiH](C)C)C(C)(C)C.NC(=O)C(F)(F)F

nearest known ligand 0.43

Full drug profile on Sugi Atlas →

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.43
GRIN2D O15399 8/20 0.42
GRIN3B O60391 8/20 0.42
GRIN1 Q05586 8/20 0.42
GRIN2A Q12879 8/20 0.42
GRIN2B Q13224 8/20 0.42
GRIN2C Q14957 8/20 0.42
GRIN3A Q8TCU5 8/20 0.42
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
OPRM1 P35372 2/20 0.40
OPRK1 P41145 1/20 0.38
KMT2A Q03164 1/20 0.37
HTR2C P28335 1/20 0.36
KDM4C Q9H3R0 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
SCHEMBL3870559 0.91 GRIN2D (0.47) KDM1AGRIN2DGRIN3BGRIN1GRIN2A
Trifluoroacetamide SCHEMBL3862894 0.80 KDM1A (0.47) KDM1AGRIN2DGRIN3BGRIN1GRIN2A
Trifluoroacetamide SCHEMBL3867162 0.79 KDM1A (0.47) KDM1AGRIN2DGRIN3BGRIN1GRIN2A
Trifluoroacetamide SCHEMBL3864676 0.75 KDM1A (0.42) KDM1AGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL3870396 0.70 PPARD (0.52) KDM1AGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL25316370 0.69 CA1 (0.54) KDM1AGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL3870551 0.68 HTR2C (0.43) KDM1AGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL14355542 0.67 CA1 (0.52) KDM1AGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL30357936 0.67 CA1 (0.55) KDM1ACA1CA2CA7CA9
Trifluoroacetamide SCHEMBL3866017 0.67 ACHE (0.41) KDM1AOPRM1OPRK1

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 KDM1A 1411/4885GRIN2D 99/4885GRIN3B 49/4885
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 KDM1A 1557/4885GRIN2D 121/4885GRIN3B 80/4885
US-20040067981-A1 Acetylcholinesterase inhibitor; Alzheimer's diseases, Hubtington disease, antidepressants ACHE, BACE1, CHRNA6 KDM1A 602/4885GRIN2D 290/4885GRIN3B 169/4885
US-20090149444-A1 Benzylamine analogues HTR4, DRD4, SLC6A4 KDM1A 2525/4885GRIN2D 354/4885GRIN3B 190/4885
US-20080255095-A1 Benzylamine analogues NR4A3, NAT1, HRH4 KDM1A 2197/4885GRIN2D 1253/4885GRIN3B 395/4885

“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.