SCHEMBL6323700

SCHEMBL6323700

COc1ccc(C(O)CN(C)C(=O)OC(C)(C)C)cn1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
OXTR P30559 3/20 0.37
NNMT P40261 1/20 0.37
NR3C1 P04150 2/20 0.35
AOC3 Q16853 1/20 0.35
GPR119 Q8TDV5 1/20 0.35
KMT2A Q03164 4/20 0.35
MEN1 O00255 3/20 0.35
KDM4E B2RXH2 1/20 0.35
MAPT P10636 1/20 0.35
ALDH1A1 P00352 1/20 0.35
POLB P06746 1/20 0.35
CHRNA7 P36544 1/20 0.34
MKNK1 Q9BUB5 1/20 0.34
MKNK2 Q9HBH9 1/20 0.34
HRH1 P35367 1/20 0.33
AURKA O14965 1/20 0.33
RPS6KB1 P23443 1/20 0.33
KCNK3 O14649 1/20 0.33
ACACB O00763 1/20 0.33

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
SCHEMBL24298342 0.84 SSTR4 (0.42) OXTRNNMTNR3C1GPR119KMT2A
SCHEMBL6319547 0.83 KMT2A (0.41) OXTRNNMTAOC3KMT2AMEN1
SCHEMBL2532624 0.78 TAAR1 (0.39) AOC3KMT2AMEN1KDM4EALDH1A1
SCHEMBL6176820 0.78 LMNA (0.43)
SCHEMBL5361268 0.77 AOC3 (0.53) AOC3
SCHEMBL5350824 0.77 AOC3 (0.53) AOC3
SCHEMBL1979471 0.77 MEN1 (0.43) AOC3KMT2AMEN1
SCHEMBL4352299 0.77 AOC3 (0.53) AOC3KMT2AMEN1KDM4EMAPT
SCHEMBL5360820 0.77 AOC3 (0.53) AOC3
SCHEMBL20611086 0.76 AOC3 (0.50) AOC3KMT2AMEN1KDM4EALDH1A1

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 disclosed
US-20040242884-A1 ANTIVIRAL COMPOUNDS PHARMACIA & UPJOHN COMPANY 2004-12-02 US disclosed
EP-1472260-A2 THIENO(3,2-B)PYRIDONES AS ANTIVIRAL COMPOUNDS PHARMACIA & UPJOHN COMPANY (US) 2004-11-03 EP disclosed
WO-2003059878-A2 THIENO (3, 2-B) PYRIDONES AS ANTIVIRAL COMPOUNDS PHARMACIA & UPJOHN COMPANY (US) 2003-07-24 WO 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-20040242884-A1 ANTIVIRAL COMPOUNDS ZC3HAV1, IRF3, IFNAR1 OXTR 4038/4885NNMT 3386/4885NR3C1 447/4885

“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.