SCHEMBL6530674

SCHEMBL6530674

CCN(CC)OC(=O)c1ccc2c(c1)Sc1ccccc1C2=C1CC2CCC(C1)N2

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 5/20 0.40
OPRD1 P41143 5/20 0.40
PABPC1 P11940 2/20 0.38
APOBEC3A P31941 2/20 0.38
EIF4H Q15056 2/20 0.38
APOBEC3G Q9HC16 2/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
TP53 P04637 4/20 0.35
LMNA P02545 4/20 0.33
CYP3A4 P08684 1/20 0.33
HTT P42858 1/20 0.33
PLEC Q15149 1/20 0.32
CHRNA7 P36544 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
HPGD P15428 1/20 0.32

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
SCHEMBL490331 0.86 OPRD1 (0.53) OPRM1OPRD1TP53LMNAHPGD
SCHEMBL3966537 0.72 SLC6A2 (0.38) OPRM1CYP3A4HTTHPGD
SCHEMBL490087 0.70 OPRM1 (0.40) OPRM1OPRD1PABPC1APOBEC3AEIF4H
SCHEMBL3965155 0.69 SLC6A2 (0.36) OPRM1TP53LMNA
SCHEMBL490580 0.69 OPRM1 (0.48) OPRM1OPRD1TP53
SCHEMBL489982 0.68 OPRD1 (0.53) OPRM1OPRD1MEN1KMT2ALMNA
SCHEMBL31270719 0.68 OPRD1 (0.53) OPRM1OPRD1MEN1KMT2ALMNA
SCHEMBL3384585 0.66 CYP3A4 (0.33) OPRM1OPRD1CYP3A4HTTCHRNA7
SCHEMBL3963787 0.65 CHRNB2 (0.41) CYP3A4
SCHEMBL490374 0.65 OPRM1 (0.44) OPRM1OPRD1TP53

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050009860-A1 Tricyclic delta-opioid modulators JANSSEN PHARMACEUTICA, N.V. (BE) 2005-01-13 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-20050009860-A1 Tricyclic delta-opioid modulators OPRD1, OPRK1, OPRL1 OPRM1 4/4885OPRD1 1/4885PABPC1 3535/4885

“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.