SCHEMBL6479388

SCHEMBL6479388

COc1ccc(C(O)CN(C)C)cc1

nearest known ligand 0.74

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 4/20 0.74
SLC6A2 P23975 9/20 0.54
SLC6A4 P31645 9/20 0.54
SLC6A3 Q01959 9/20 0.54
CACNA1F O60840 1/20 0.53
CACNA1D Q01668 1/20 0.53
CACNA1S Q13698 1/20 0.53
CACNA1C Q13936 1/20 0.53
LMNA P02545 1/20 0.53
CNR1 P21554 1/20 0.53
HTR2A P28223 1/20 0.53
HRH1 P35367 1/20 0.53
HRH3 Q9Y5N1 1/20 0.53
POLB P06746 1/20 0.50
ALDH1A1 P00352 1/20 0.49
MAPT P10636 1/20 0.49

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
SCHEMBL6479386 0.85 AOC3 (0.70) AOC3SLC6A2SLC6A4SLC6A3CACNA1F
SCHEMBL6742350 0.85 AOC3 (1.00) AOC3SLC6A2SLC6A4POLBALDH1A1
SCHEMBL6826544 0.81 AOC3 (0.60) AOC3ALDH1A1MAPT
SCHEMBL6745741 0.81 AOC3 (0.69) AOC3SLC6A2SLC6A4SLC6A3CACNA1F
Hydrochloric Acid SCHEMBL14775340 0.80 AOC3 (0.58) AOC3SLC6A2SLC6A4SLC6A3ALDH1A1
SCHEMBL327629 0.79 AOC3 (0.63) AOC3ALDH1A1MAPT
SCHEMBL6282443 0.79 AOC3 (0.77) AOC3SLC6A2SLC6A4HTR2A
SCHEMBL6317820 0.79 AOC3 (0.49) AOC3SLC6A2SLC6A4SLC6A3ALDH1A1
SCHEMBL11098258 0.78 AOC3 (0.51) AOC3SLC6A2SLC6A4SLC6A3CACNA1F
SCHEMBL25101015 0.78 TAAR1 (0.54) AOC3SLC6A2SLC6A4SLC6A3LMNA

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 3 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
CN-103415286-A Compounds and methods for treating pain AKRON MOLECULES GMBH 2013-11-27 CN 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-20040138449-A1 Antiviral agents IRF3, IFNAR1, EIF2AK2 AOC3 4495/4885SLC6A2 2641/4885SLC6A4 2476/4885

“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.