SCHEMBL6326415

SCHEMBL6326415

CN(C)CC(O)c1cc(F)c(F)c(F)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.42
ADRB1 P08588 1/20 0.42
ADRB3 P13945 1/20 0.42
AOC3 Q16853 7/20 0.42
CES2 O00748 1/20 0.40
CES1 P23141 1/20 0.40
HIF1A Q16665 1/20 0.35
TDP1 Q9NUW8 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
POLB P06746 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
THRB P10828 1/20 0.34
G6PD P11413 1/20 0.34
PABPC1 P11940 1/20 0.34
KMT2A Q03164 1/20 0.34
HKDC1 Q2TB90 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL6326414 0.85 ADRB1 (0.40) ADRB2ADRB1ADRB3AOC3CES2
SCHEMBL25257589 0.82 AOC3 (0.47) ADRB2ADRB1ADRB3AOC3CES2
SCHEMBL31068729 0.81 AOC3 (0.47) ADRB2ADRB1ADRB3AOC3CES2
SCHEMBL25261847 0.81 AOC3 (0.47) ADRB2ADRB1ADRB3AOC3CES2
SCHEMBL25304349 0.74 AOC3 (0.41) ADRB2ADRB1ADRB3AOC3SLC6A2
SCHEMBL25831631 0.74 AOC3 (0.41) ADRB2ADRB1ADRB3AOC3SLC6A2
SCHEMBL25303622 0.74 AOC3 (0.41) ADRB2ADRB1ADRB3AOC3CES2
SCHEMBL1205131 0.73 AOC3 (0.72) AOC3KDM4EMEN1KMT2ASLC6A2
SCHEMBL25259675 0.73 AOC3 (0.47) AOC3ALDH1A1MAPTSLC6A2SLC6A4
SCHEMBL25259601 0.73 AOC3 (0.44) ADRB1ADRB3AOC3MAPTSLC6A2

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 2 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

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 ADRB2 3513/4885ADRB1 2993/4885ADRB3 2710/4885

“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.