SCHEMBL6296998

SCHEMBL6296998

CCCN(C1=C(O)CC(CCc2ccsc2)(C(C)C)OC1=O)c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.35
DRD3 P35462 3/20 0.35
DRD4 P21917 1/20 0.32
OPRM1 P35372 4/20 0.32
OPRD1 P41143 4/20 0.32
OPRL1 P41146 1/20 0.32
CHRM2 P08172 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 1/20 0.31
OPRK1 P41145 3/20 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
SCHEMBL6295910 0.90 WRN (0.33) DRD2DRD3OPRM1OPRD1CHRM2
SCHEMBL7141092 0.90 WRN (0.33) DRD2DRD3OPRM1OPRD1CHRM2
SCHEMBL6295877 0.87 GLI1 (0.34) OPRM1OPRD1OPRK1
SCHEMBL6295721 0.85 PPIB (0.32) DRD2
SCHEMBL6297136 0.82 HTR1A (0.30)
SCHEMBL7078899 0.81 WRN (0.34) DRD3OPRM1OPRD1OPRL1CHRM2
SCHEMBL6295927 0.81 ESR1 (0.36) DRD2DRD3OPRM1OPRD1CHRM2
SCHEMBL6301730 0.81 TRPM8 (0.42) DRD2DRD3DRD4OPRM1OPRK1
SCHEMBL6297393 0.81 OPRD1 (0.32) DRD2DRD3OPRM1OPRD1CHRM2
SCHEMBL6301624 0.79 KDM4E (0.34) OPRM1OPRD1OPRK1

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 DRD2 3439/4885DRD3 2004/4885DRD4 1684/4885

“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.