SCHEMBL6326414

SCHEMBL6326414

[CH2]N(C)CC(O)c1cc(F)c(F)c(F)c1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 2/20 0.40
ADRB3 P13945 2/20 0.40
ADRB2 P07550 1/20 0.40
AOC3 Q16853 8/20 0.40
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
TRPM8 Q7Z2W7 1/20 0.31
TAAR1 Q96RJ0 1/20 0.31
CYP1A2 P05177 1/20 0.30
CYP2D6 P10635 1/20 0.30
ADRA2A P08913 1/20 0.30
ADRA2B P18089 1/20 0.30
ADRA2C P18825 1/20 0.30

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
SCHEMBL6326415 0.85 ADRB2 (0.42) ADRB1ADRB3ADRB2AOC3CES2
SCHEMBL6281298 0.76 AOC3 (0.68) AOC3
SCHEMBL6284970 0.72 AOC3 (0.68) AOC3TAAR1
SCHEMBL7153230 0.70 ADRB2 (0.50) ADRB1ADRB3ADRB2CES2CES1
SCHEMBL2458054 0.70 ADRB2 (0.50) ADRB1ADRB3ADRB2CES2CES1
SCHEMBL14289293 0.69 CES2 (0.40) ADRB1ADRB3ADRB2CES2CES1
SCHEMBL6320570 0.69 TAAR1 (0.50) AOC3TAAR1CYP1A2CYP2D6
SCHEMBL6320542 0.69 ADRA2A (0.59) ADRB1ADRB3ADRB2TAAR1CYP1A2
SCHEMBL6281184 0.68 AOC3 (0.47) AOC3
SCHEMBL6281260 0.68 AOC3 (0.68) AOC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6852731-B2 Antiviral compounds PFIZER (US) 2005-02-08 US claimed
US-20040242884-A1 ANTIVIRAL COMPOUNDS PHARMACIA & UPJOHN COMPANY 2004-12-02 US claimed
EP-1472260-A2 THIENO(3,2-B)PYRIDONES AS ANTIVIRAL COMPOUNDS PHARMACIA & UPJOHN COMPANY (US) 2004-11-03 EP claimed
WO-2003059878-A2 THIENO (3, 2-B) PYRIDONES AS ANTIVIRAL COMPOUNDS PHARMACIA & UPJOHN COMPANY (US) 2003-07-24 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-20040242884-A1 ANTIVIRAL COMPOUNDS ZC3HAV1, IRF3, IFNAR1 ADRB1 2993/4885ADRB3 2710/4885ADRB2 3513/4885

“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.