2,2,2-Trifluoroethanaminium

2,2,2-Trifluoroethanaminium

SCHEMBL4716808

NCC(F)(F)F.NCC(c1ccccc1)c1ccccc1

nearest known ligand 0.73

Full drug profile on Sugi Atlas →

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 4/20 0.73
TAAR1 Q96RJ0 4/20 0.73
CHRNB2 P17787 1/20 0.59
CHRNA4 P43681 1/20 0.59
HRH1 P35367 2/20 0.48
AKT2 P31751 1/20 0.43
CHRNA7 P36544 1/20 0.43
SLC6A2 P23975 2/20 0.41
SLC6A4 P31645 2/20 0.41
SLC6A3 Q01959 2/20 0.41
GABBR2 O75899 1/20 0.39
GABBR1 Q9UBS5 1/20 0.39
AKT1 P31749 1/20 0.39
PNMT P11086 1/20 0.39

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
SCHEMBL149259 0.85 HTR2A (1.00) HTR2ATAAR1CHRNB2CHRNA4HRH1
Hydrochloric Acid SCHEMBL8550503 0.83 HTR2A (0.94) HTR2ATAAR1CHRNB2CHRNA4HRH1
Water SCHEMBL28365853 0.83 HTR2A (0.94) HTR2ATAAR1CHRNB2CHRNA4HRH1
Bromide SCHEMBL6737914 0.83 HTR2A (0.94) HTR2ATAAR1CHRNB2CHRNA4HRH1
2,2,2-Trifluoroethanaminium SCHEMBL8355789 0.81 PNMT (0.56) HTR2ATAAR1SLC6A2SLC6A4SLC6A3
SCHEMBL605443 0.81 HTR2A (0.64) HTR2ATAAR1CHRNB2CHRNA4SLC6A2
SCHEMBL38652540 0.80 HTR2A (0.89) HTR2ATAAR1CHRNB2CHRNA4HRH1
Hydroxyamine SCHEMBL4363096 0.80 HTR2A (0.89) HTR2ATAAR1CHRNB2CHRNA4HRH1
SCHEMBL4743517 0.78 HTR2A (0.59) HTR2ATAAR1CHRNB2CHRNA4PNMT
SCHEMBL3910286 0.77 HTR2A (0.73) HTR2ATAAR1CHRNB2CHRNA4HRH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1877401-A2 NOVEL COMPOUNDS USEFUL FOR BRADYKININ B1 RECEPTOR ANTAGONISM Elan Pharmaceuticals Inc. (US) 2008-01-16 EP claimed
US-20070032475-A1 Novel compounds useful for bradykinin B1 receptor antagonism ELAN PHARMACEUTICALS, INC. 2007-02-08 US claimed
WO-2006113140-A2 NOVEL COMPOUNDS USEFUL FOR BRADYKININ B1 RECEPTOR ANTAGONISM ELAN PHARMACEUTICALS, INC. (US) 2006-10-26 WO claimed

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

For each of this compound's patents that has machine-readable text (1 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-20070032475-A1 Novel compounds useful for bradykinin B1 receptor antagonism BDKRB1, BDKRB2, NPBWR1 HTR2A 742/4885TAAR1 228/4885CHRNB2 309/4885

“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.