SCHEMBL6493018

SCHEMBL6493018

[CH2]N(C)CC(O)c1cccc(N)c1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 7/20 0.51
CPN1 P15169 1/20 0.41
CPB2 Q96IY4 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41
MEN1 O00255 1/20 0.38
HPGD P15428 1/20 0.38
KMT2A Q03164 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
SLC6A2 P23975 3/20 0.38
SLC6A4 P31645 3/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
IDO1 P14902 1/20 0.38
SLC6A3 Q01959 1/20 0.38
HTR2A P28223 1/20 0.37
HRH1 P35367 1/20 0.37
LMNA P02545 1/20 0.37

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
SCHEMBL6493022 0.86 AOC3 (0.51) AOC3CPN1CPB2TAAR1MEN1
SCHEMBL6491739 0.83 HIF1A (0.56) AOC3TAAR1MEN1KMT2ASLC6A3
SCHEMBL6284970 0.81 AOC3 (0.68) AOC3TAAR1MEN1KMT2AL3MBTL1
SCHEMBL6282438 0.79 AOC3 (0.73) AOC3L3MBTL1SLC6A2SLC6A4
SCHEMBL7654348 0.76 LMNA (0.59) AOC3CPN1CPB2L3MBTL1SLC6A2
SCHEMBL5466349 0.76 LMNA (0.59) AOC3CPN1CPB2L3MBTL1SLC6A2
SCHEMBL5466344 0.76 LMNA (0.59) AOC3CPN1CPB2L3MBTL1SLC6A2
SCHEMBL1356331 0.76 CPN1 (0.42) AOC3CPN1CPB2MEN1HPGD
SCHEMBL6318818 0.74 POLB (0.47) MEN1KMT2AL3MBTL1SLC6A2SLC6A4
SCHEMBL2238144 0.74 CPN1 (0.49) AOC3CPN1CPB2SLC6A2SLC6A4

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 4495/4885CPN1 1491/4885CPB2 1788/4885

“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.