SCHEMBL6281187

SCHEMBL6281187

CN(C)CC(O)c1ccncc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 6/20 0.46
CYP51A1 Q16850 2/20 0.46
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2C19 P33261 1/20 0.39
HTR2A P28223 1/20 0.39
HRH1 P35367 1/20 0.39
CHRM5 P08912 1/20 0.38
CHKA P35790 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CYP17A1 P05093 1/20 0.37
CYP19A1 P11511 1/20 0.37
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
KDM4E B2RXH2 1/20 0.37
MAPT P10636 1/20 0.37
TSHR P16473 1/20 0.36

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
SCHEMBL6281184 0.84 AOC3 (0.47) AOC3CYP51A1SLC6A2SLC6A4SLC6A3
SCHEMBL804251 0.78 AOC3 (0.70) AOC3SLC6A2SLC6A4SLC6A3CYP3A4
SCHEMBL907640 0.78 AOC3 (0.70) AOC3SLC6A2SLC6A4SLC6A3CYP3A4
SCHEMBL907809 0.78 AOC3 (0.70) AOC3SLC6A2SLC6A4SLC6A3CYP3A4
SCHEMBL6319993 0.77 SMN1; SMN2 (0.50) AOC3CYP51A1SLC6A2SLC6A4SLC6A3
SCHEMBL25101015 0.77 TAAR1 (0.54) AOC3SLC6A2SLC6A4SLC6A3CYP3A4
Hydrochloric Acid SCHEMBL7244349 0.77 AOC3 (0.68) AOC3SLC6A2SLC6A4SLC6A3CYP3A4
SCHEMBL16327150 0.77 AOC3 (0.48) AOC3SLC6A2SLC6A4SLC6A3CYP2C19
SCHEMBL6320573 0.77 TAAR1 (0.54) AOC3SLC6A2SLC6A4SLC6A3CYP3A4
SCHEMBL25314645 0.76 LMNA (0.60) CYP51A1SLC6A2SLC6A4SLC6A3CYP3A4

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-6878705-B2 4-oxo-4,7-dihydrofuro[2,3-b]pyridine-5-carboxamide antiviral agents PFIZER (US) 2005-04-12 US disclosed
US-20040259907-A1 4-OXO-4,7-DIHYDROFURO[2,3-B]PYRIDINE-5-CARBOXAMIDE ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY 2004-12-23 US disclosed
EP-1465895-A2 4-OXO-4,7-DIHYDROFURO(2,3-B)PYRIDINE-5-CARBOXAMIDE ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 2004-10-13 EP disclosed
WO-2003059911-A2 4-OXO-4, 7-DIHYDROFURO[2,3-b]PYRIDINE-5-CARBOXAMIDE ANTIVIRAL AGENTS 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-20040259907-A1 4-OXO-4,7-DIHYDROFURO[2,3-B]PYRIDINE-5-CARBOXAMIDE ANTIVIRAL AGENTS IL4, ZC3HAV1, IRF3 AOC3 3745/4885CYP51A1 462/4885SLC6A2 4331/4885

“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.