SCHEMBL6493022

SCHEMBL6493022

CN(C)CC(O)c1cccc(N)c1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 5/20 0.51
HTR2A P28223 1/20 0.44
HRH1 P35367 1/20 0.44
CPN1 P15169 1/20 0.44
CPB2 Q96IY4 1/20 0.44
SLC6A2 P23975 3/20 0.43
SLC6A4 P31645 3/20 0.43
SLC6A3 Q01959 3/20 0.43
TDP1 Q9NUW8 1/20 0.42
AURKA O14965 1/20 0.42
RPS6KB1 P23443 1/20 0.42
SLC22A1 O15245 1/20 0.41
OPRM1 P35372 1/20 0.41
TAAR1 Q96RJ0 1/20 0.40
MEN1 O00255 1/20 0.40
HPGD P15428 1/20 0.40
KMT2A Q03164 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HIF1A Q16665 1/20 0.40

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
SCHEMBL6493018 0.86 AOC3 (0.51) AOC3HTR2AHRH1CPN1CPB2
SCHEMBL24951572 0.81 SLC22A1 (0.59) AOC3HTR2AHRH1SLC6A2SLC6A4
SCHEMBL8439197 0.81 SLC22A1 (0.59) AOC3HTR2AHRH1SLC6A2SLC6A4
SCHEMBL6491746 0.81 SLC22A1 (0.59) AOC3HTR2AHRH1SLC6A2SLC6A4
SCHEMBL31664244 0.80 SLC6A2 (0.55) AOC3SLC6A2SLC6A4SLC6A3TAAR1
SCHEMBL25301045 0.80 AOC3 (0.50) AOC3HTR2AHRH1SLC6A2SLC6A4
SCHEMBL25263568 0.80 AOC3 (0.46) AOC3HTR2AHRH1SLC6A2SLC6A4
SCHEMBL31068697 0.80 AOC3 (0.46) AOC3HTR2AHRH1SLC6A2SLC6A4
SCHEMBL25257967 0.80 AOC3 (0.46) AOC3HTR2AHRH1SLC6A2SLC6A4
SCHEMBL25262310 0.80 SLC6A2 (0.55) AOC3SLC6A2SLC6A4SLC6A3TAAR1

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-6861438-B2 Antiviral agents PFIZER (US) 2005-03-01 US claimed
US-20040138449-A1 Antiviral agents PHARMACIA & UPJOHN COMPANY 2004-07-15 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-20040138449-A1 Antiviral agents IRF3, IFNAR1, EIF2AK2 AOC3 4495/4885HTR2A 4573/4885HRH1 685/4885

“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.