SCHEMBL7078600

SCHEMBL7078600

CCCN(C1=C(O)CC(CCc2cccc(NC(C)=O)c2)(c2ccccc2)OC1=O)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.38
OPRM1 P35372 4/20 0.37
OPRK1 P41145 1/20 0.37
SIGMAR1 Q99720 2/20 0.36
ICMT O60725 1/20 0.35
OPRD1 P41143 1/20 0.34
PTPN1 P18031 1/20 0.34
RAB9A P51151 2/20 0.34
NPC1 O15118 1/20 0.34
MAPT P10636 1/20 0.34
AOC3 Q16853 1/20 0.34
SIRT1 Q96EB6 1/20 0.34
PTGIR P43119 1/20 0.34
LDHA P00338 1/20 0.34
LDHB P07195 1/20 0.34
ATM Q13315 1/20 0.33
HTR7 P34969 1/20 0.33

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
SCHEMBL7073589 0.91 PTPN1 (0.40) NPSR1OPRM1SIGMAR1OPRD1PTPN1
SCHEMBL7074566 0.87 LDHA (0.35) OPRM1OPRK1OPRD1LDHA
SCHEMBL7077918 0.83 UTS2R (0.36) OPRM1OPRK1SIGMAR1OPRD1LDHA
SCHEMBL7077656 0.83 UTS2R (0.36) NPSR1OPRM1OPRK1ICMTOPRD1
SCHEMBL7079765 0.83 UTS2R (0.36) OPRM1OPRK1OPRD1LDHA
SCHEMBL7077562 0.81 OPRM1 (0.34) OPRM1OPRK1SIGMAR1OPRD1LDHA
SCHEMBL7079182 0.81 PPIB (0.34) LDHA
SCHEMBL7073406 0.80 UTS2R (0.34) OPRM1OPRK1OPRD1RAB9ANPC1
SCHEMBL7075170 0.79 LDHA (0.36) OPRM1LDHA
SCHEMBL7080444 0.78 LDHA (0.35) RAB9ANPC1LDHA

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 NPSR1 3009/4885OPRM1 3843/4885OPRK1 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.