SCHEMBL6302155

SCHEMBL6302155

CCN(C1=C(O)CC(CCc2ccc(O)cc2)(C(C)C)OC1=O)c1cccc(C(N)=O)c1

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 4/20 0.34
ARRB1 P49407 1/20 0.34
OPRK1 P41145 3/20 0.32
OPRD1 P41143 1/20 0.32
ESRRG P62508 3/20 0.32
GLI1 P08151 2/20 0.32
GLI2 P10070 2/20 0.32
ESRRB O95718 1/20 0.31
PIK3CD O00329 1/20 0.31
PARP1 P09874 1/20 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
SCHEMBL6297501 0.94 GLI1 (0.35) OPRM1ARRB1OPRK1ESRRGGLI1
SCHEMBL6295921 0.94 OPRM1 (0.38) OPRM1ARRB1OPRK1OPRD1
SCHEMBL6302156 0.89 ESRRG (0.31) ESRRG
SCHEMBL6302376 0.88 GLI1 (0.30) GLI1GLI2
SCHEMBL6297392 0.88 OPRM1 (0.34) OPRM1ARRB1OPRK1OPRD1GLI1
SCHEMBL6297241 0.87 LMNA (0.34) OPRM1OPRK1OPRD1ESRRGESRRB
SCHEMBL6302281 0.87 OPRM1 (0.35) OPRM1ARRB1OPRK1OPRD1ESRRG
SCHEMBL7077392 0.84 GLI1 (0.35) OPRM1OPRK1OPRD1ESRRGGLI1
SCHEMBL6302089 0.84 NPC1 (0.31) ESRRGESRRB
SCHEMBL6295654 0.83 ESRRG (0.33) ESRRGESRRB

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 5 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
US-6927217-B2 HIV protease inhibitors WARNER-LAMBERT COMPANY (US) 2005-08-09 US disclosed
US-20030171425-A1 HIV protease inhibitors BOYER FREDERICK EARL (US) 2003-09-11 US disclosed
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 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-20030171425-A1 HIV protease inhibitors DNPEP, PRSS1, PREP OPRM1 3843/4885ARRB1 2697/4885OPRK1 2630/4885

“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.