SCHEMBL6302159

SCHEMBL6302159

CC(C)CCN(C1=C(O)CC(CCc2ccc(O)cc2)(C(C)C)OC1=O)c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.36
OPRK1 P41145 8/20 0.35
OPRM1 P35372 7/20 0.35
OPRD1 P41143 7/20 0.35
GRIN2B Q13224 2/20 0.33
LMNA P02545 2/20 0.32
AKT1 P31749 1/20 0.31
ESRRG P62508 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
GLI1 P08151 1/20 0.31
GLI2 P10070 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30
WRN Q14191 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
SCHEMBL6295877 0.92 GLI1 (0.34) KDM4EOPRK1OPRM1OPRD1GRIN2B
SCHEMBL6301624 0.92 KDM4E (0.34) KDM4EOPRK1OPRM1OPRD1GRIN2B
SCHEMBL6295927 0.90 ESR1 (0.36) KDM4EOPRK1OPRM1OPRD1GRIN2B
SCHEMBL6297241 0.90 LMNA (0.34) KDM4EOPRK1OPRM1OPRD1GRIN2B
SCHEMBL6297058 0.90 LMNA (0.36) KDM4EOPRK1OPRM1OPRD1GRIN2B
SCHEMBL6295649 0.89 TP53 (0.33) KDM4EGRIN2BMEN1KMT2A
SCHEMBL7141092 0.87 WRN (0.33) OPRK1OPRM1OPRD1WRN
SCHEMBL6301600 0.87 KDM4E (0.34) KDM4EOPRK1OPRM1OPRD1GRIN2B
SCHEMBL6301391 0.85 KDM4E (0.33) KDM4EOPRK1OPRM1OPRD1GRIN2B
SCHEMBL7078899 0.85 WRN (0.34) OPRM1OPRD1LMNASMN1; SMN2WRN

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 KDM4E 1481/4885OPRK1 2630/4885OPRM1 3843/4885

“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.