SCHEMBL16907964

SCHEMBL16907964

C=C(C)[C@@H]1CCC(C)=C[C@H]1c1c(OC(=O)CN(C)C)cc(CCCCC)cc1OC(=O)C[N+](C)(C)C

nearest known ligand 0.70

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.64
BCHE P06276 3/20 0.63
ACE2 Q9BYF1 3/20 0.63
CNR1 P21554 2/20 0.56
CNR2 P34972 2/20 0.56

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
SCHEMBL12756259 0.95 OPRM1 (0.70) OPRM1BCHEACE2CNR1CNR2
SCHEMBL7850802 0.94 OPRM1 (0.71) OPRM1BCHEACE2CNR1CNR2
SCHEMBL13472463 0.94 OPRM1 (0.71) OPRM1BCHEACE2CNR1CNR2
SCHEMBL12756258 0.90 BCHE (0.73) OPRM1BCHEACE2CNR1CNR2
SCHEMBL7859647 0.89 BCHE (0.79) OPRM1BCHECNR1CNR2
SCHEMBL19472331 0.89 BCHE (0.79) OPRM1BCHECNR1CNR2
SCHEMBL16404764 0.88 BCHE (0.66) OPRM1BCHEACE2
SCHEMBL8032251 0.86 OPRM1 (0.68) OPRM1BCHEACE2CNR1CNR2
SCHEMBL12756262 0.86 OPRM1 (0.68) OPRM1BCHEACE2CNR1CNR2
SCHEMBL13472477 0.86 OPRM1 (0.68) OPRM1BCHEACE2CNR1CNR2

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-20150197484-A1 USE OF CANNABIDIOL PRODRUGS IN TOPICAL AND TRANSDERMAL ADMINISTRATION WITH MICRONEEDLES ZYNERBA PHARMACEUTICALS, INC. (US) 2015-07-16 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-20150197484-A1 USE OF CANNABIDIOL PRODRUGS IN TOPICAL AND TRANSDERMAL ADMINISTRATION WITH MICRONEEDLES PNLIP, CNR2, CNR1 OPRM1 35/4885BCHE 166/4885ACE2 2368/4885

“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.