SCHEMBL7073642

SCHEMBL7073642

O=C1OC(CCc2ccccc2)(c2ccccc2)CC(O)=C1N(CC1CC1)c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 13/20 0.36
OPRK1 P41145 10/20 0.36
OPRD1 P41143 8/20 0.36
DRD2 P14416 2/20 0.34
DRD3 P35462 2/20 0.34
LDHA P00338 2/20 0.34
EGFR P00533 1/20 0.32
CHRM2 P08172 1/20 0.31
CHRM3 P20309 1/20 0.31
OPRL1 P41146 2/20 0.31
NAPEPLD Q6IQ20 1/20 0.31
UTS2R Q9UKP6 2/20 0.30

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
SCHEMBL7075144 0.88 LDHA (0.37) OPRM1OPRK1OPRD1LDHAEGFR
SCHEMBL7075170 0.86 LDHA (0.36) OPRM1LDHAEGFROPRL1UTS2R
SCHEMBL7077455 0.85 UTS2R (0.41) OPRM1OPRK1OPRD1LDHAEGFR
SCHEMBL7073418 0.85 LDHA (0.38) OPRM1LDHAEGFROPRL1UTS2R
SCHEMBL7074566 0.84 LDHA (0.35) OPRM1OPRK1OPRD1DRD2DRD3
SCHEMBL7446274 0.84 LDHA (0.36) OPRM1OPRK1OPRD1LDHAEGFR
SCHEMBL7079838 0.83 LDHA (0.38) OPRM1LDHAEGFROPRL1UTS2R
SCHEMBL7075398 0.83 LDHA (0.34) OPRM1LDHAEGFROPRL1UTS2R
SCHEMBL7077562 0.82 OPRM1 (0.34) OPRM1OPRK1OPRD1DRD2DRD3
SCHEMBL7446334 0.82 OPRM1 (0.38) OPRM1OPRK1OPRD1DRD2DRD3

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-20030171425-A1 HIV protease inhibitors BOYER FREDERICK EARL (US) 2003-09-11 US claimed
US-6512006-B1 Novel 3-position Nitrogen substituted 6,6- disubstituted-5, 6-dihydropyrones and related compounds possess antiviral properties WARNER-LAMBERT COMPANY 2003-01-28 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-20030171425-A1 HIV protease inhibitors DNPEP, PRSS1, PREP OPRM1 3843/4885OPRK1 2630/4885OPRD1 2816/4885

“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.