SCHEMBL7073589

SCHEMBL7073589

CCCN(C1=C(O)CC(CCc2ccc(NC(C)=O)cc2)(c2ccccc2)OC1=O)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.40
OPRM1 P35372 1/20 0.39
OPRD1 P41143 1/20 0.39
RORC P51449 4/20 0.37
POLB P06746 1/20 0.36
HPGD P15428 1/20 0.36
HTT P42858 2/20 0.34
GAA P10253 1/20 0.34
KDM1A O60341 1/20 0.34
SMN1; SMN2 Q16637 3/20 0.33
MTNR1A P48039 1/20 0.33
MTNR1B P49286 1/20 0.33
CNR2 P34972 1/20 0.33
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
MAPK1 P28482 2/20 0.33
ATM Q13315 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
SCHEMBL7078600 0.91 NPSR1 (0.38) PTPN1OPRM1OPRD1SIGMAR1ATM
SCHEMBL7074566 0.89 LDHA (0.35) OPRM1OPRD1GAA
SCHEMBL7079182 0.86 PPIB (0.34)
SCHEMBL7077562 0.83 OPRM1 (0.34) OPRM1OPRD1SMN1; SMN2SIGMAR1MEN1
SCHEMBL7077918 0.82 UTS2R (0.36) OPRM1OPRD1POLBSIGMAR1
SCHEMBL7079765 0.81 UTS2R (0.36) OPRM1OPRD1MTNR1B
SCHEMBL7077656 0.81 UTS2R (0.36) OPRM1OPRD1HTTKDM4ELMNA
SCHEMBL7075170 0.81 LDHA (0.36) OPRM1GAA
SCHEMBL7080444 0.80 LDHA (0.35) RAB9A
SCHEMBL7073418 0.80 LDHA (0.38) OPRM1GAA

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 PTPN1 3613/4885OPRM1 3843/4885OPRD1 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.