SCHEMBL6145485

SCHEMBL6145485

CNC[C@H](O)c1cc(O)c(O)c(C(F)(F)F)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 6/20 0.58
ADRA2B P18089 6/20 0.58
ADRA2C P18825 6/20 0.58
ADRB1 P08588 4/20 0.58
ADRB3 P13945 4/20 0.58
KDM4E B2RXH2 6/20 0.54
ADRB2 P07550 5/20 0.54
TDP1 Q9NUW8 5/20 0.54
HIF1A Q16665 5/20 0.54
ADRA1A P35348 4/20 0.54
MAPT P10636 3/20 0.54
HSD17B10 Q99714 3/20 0.54
TSHR P16473 3/20 0.54
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
ALDH1A1 P00352 2/20 0.54
CYP1A2 P05177 2/20 0.54
DRD1 P21728 2/20 0.54
ADRA1B P35368 2/20 0.54
DRD3 P35462 2/20 0.54

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
SCHEMBL23484536 0.84 KDM4E (0.67) ADRA2AADRA2BADRA2CADRB1ADRB3
SCHEMBL26672809 0.83 ADRA2A (0.70) ADRA2AADRA2BADRA2CADRB1ADRB3
SCHEMBL11743203 0.77 KDM4E (0.57) ADRA2AADRA2BADRA2CADRB1ADRB3
SCHEMBL28196898 0.76 ADRA2A (0.60) ADRA2AADRA2BADRA2CADRB1ADRB3
SCHEMBL28196899 0.76 ADRA2A (0.60) ADRA2AADRA2BADRA2CADRB1ADRB3
SCHEMBL5492653 0.76 ADRA2A (0.47) ADRA2AADRA2BADRA2CADRB1ADRB3
SCHEMBL6145383 0.75 ADRA2A (0.63) ADRA2AADRA2BADRA2CADRB1ADRB3
SCHEMBL17049583 0.72 KDM4E (0.51) ADRA2AADRA2BADRA2CADRB1ADRB3
SCHEMBL6320542 0.72 ADRA2A (0.59) ADRA2AADRA2BADRA2CADRB1ADRB3
L-Adrenaline SCHEMBL11647 0.70 KDM4E (1.00) ADRA2AADRA2BADRA2CADRB1ADRB3

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
EP-1487784-A4 NOVEL TRIFLUOROMETHYLEPINEPHRINE COMPOUNDS AND METHODS OF MAKING AND USING THEREOF US ARMY MED RES MAT COMMAND (US) 2005-03-30 EP claimed
EP-1487784-A2 NOVEL TRIFLUOROMETHYLEPINEPHRINE COMPOUNDS AND METHODS OF MAKING AND USING THEREOF U.S. Army Medical Research and Materiel Command (US) 2004-12-22 EP claimed
US-6825382-B2 VASOCONSTRICTORS THAT ARE USED TO PROLONG THE ACTIVITY OF LOCAL ANESTHETICS IN DENTAL PREPARATIONS THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY 2004-11-30 US claimed
US-20040015015-A1 Novel trifluoromethylepinephrine compounds and methods of making and using thereof UNITED STATES ARMY 2004-01-22 US claimed
WO-2003103609-A2 NOVEL TRIFLUOROMETHYLEPINEPHRINE COMPOUNDS AND METHODS OF MAKING AND USING THEREOF U.S. ARMY MEDICAL RESEARCH AND MATERIEL COMMAND (US) 2003-12-18 WO claimed
EP-1487784-A4 NOVEL TRIFLUOROMETHYLEPINEPHRINE COMPOUNDS AND METHODS OF MAKING AND USING THEREOF US ARMY MED RES MAT COMMAND (US) 2005-03-30 EP disclosed
EP-1487784-A2 NOVEL TRIFLUOROMETHYLEPINEPHRINE COMPOUNDS AND METHODS OF MAKING AND USING THEREOF U.S. Army Medical Research and Materiel Command (US) 2004-12-22 EP disclosed
US-6825382-B2 VASOCONSTRICTORS THAT ARE USED TO PROLONG THE ACTIVITY OF LOCAL ANESTHETICS IN DENTAL PREPARATIONS THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY 2004-11-30 US disclosed
US-20040015015-A1 Novel trifluoromethylepinephrine compounds and methods of making and using thereof UNITED STATES ARMY 2004-01-22 US disclosed
WO-2003103609-A2 NOVEL TRIFLUOROMETHYLEPINEPHRINE COMPOUNDS AND METHODS OF MAKING AND USING THEREOF U.S. ARMY MEDICAL RESEARCH AND MATERIEL COMMAND (US) 2003-12-18 WO 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 (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-20040015015-A1 Novel trifluoromethylepinephrine compounds and methods of making and using thereof NPY5R, NPY1R, HTR5A ADRA2A 64/4885ADRA2B 58/4885ADRA2C 25/4885

“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.