SCHEMBL6706491

SCHEMBL6706491

CCCCOC(=O)N1CCC(Oc2ccc(OCC(=O)O)c([N+](=O)[O-])c2)CC1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PLA2G4B P0C869 1/20 0.46
KDM4E B2RXH2 1/20 0.45
GPR119 Q8TDV5 2/20 0.43
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
P2RY12 Q9H244 6/20 0.42
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.40
MMP2 P08253 1/20 0.40
MMP3 P08254 1/20 0.40
MMP9 P14780 1/20 0.40
MMP8 P22894 1/20 0.40
MMP13 P45452 1/20 0.40
HRH2 P25021 1/20 0.40
HRH1 P35367 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
SCHEMBL5215281 0.85 GPR119 (0.49) GPR119KMT2AMEN1
SCHEMBL23466891 0.83 PDE4B (0.45) KDM4EGPR119P2RY12ALDH1A1LMNA
SCHEMBL5217654 0.80 USP30 (0.44) GPR119KMT2AMEN1
SCHEMBL30996465 0.79 SLC6A2 (0.47) GPR119KMT2AMEN1P2RY12ALDH1A1
SCHEMBL30996468 0.79 SLC6A2 (0.47) GPR119KMT2AMEN1P2RY12ALDH1A1
SCHEMBL5342029 0.76 GPR119 (0.48) GPR119KMT2AMEN1ALDH1A1MAPT
SCHEMBL25725919 0.76 PDE4D (0.51) GPR119
SCHEMBL4975434 0.76 PDE4B (0.52) KMT2AMEN1ALDH1A1LMNAMAPT
SCHEMBL3975186 0.76 ALDH1A1 (0.45) KDM4EKMT2AMEN1ALDH1A1LMNA
SCHEMBL5253946 0.75 CHEK2 (0.44) KDM4EGPR119KMT2AMEN1ALDH1A1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040063704-A1 Benzoxazinone derivatives, their preparation and use SMITHKLINE BEECHAM P.L.C (GB) 2004-04-01 US 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-20040063704-A1 Benzoxazinone derivatives, their preparation and use CYP2B6, CBR1, CYP2A6 PLA2G4B 4240/4885KDM4E 1680/4885GPR119 1394/4885

“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.