SCHEMBL7859647

SCHEMBL7859647

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

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 3/20 0.79
CNR2 P34972 6/20 0.70
CNR1 P21554 3/20 0.70
TRPV1 Q8NER1 2/20 0.70
OPRM1 P35372 2/20 0.70
MLNR O43193 1/20 0.70
NR1I2 O75469 1/20 0.70
PDE9A O76083 1/20 0.70
ABCB11 O95342 1/20 0.70
LDHA P00338 1/20 0.70
CYP1A1 P04798 1/20 0.70
CYP1A2 P05177 1/20 0.70
CHRM2 P08172 1/20 0.70
CYP3A4 P08684 1/20 0.70
HTR1A P08908 1/20 0.70
ADORA3 P0DMS8 1/20 0.70
CYP2D6 P10635 1/20 0.70
CYP2A6 P11509 1/20 0.70
CYP2C9 P11712 1/20 0.70
DRD2 P14416 1/20 0.70

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
SCHEMBL19472331 1.00 BCHE (0.79) BCHECNR2CNR1TRPV1OPRM1
SCHEMBL13472463 0.94 OPRM1 (0.71) BCHECNR2CNR1TRPV1OPRM1
SCHEMBL7850802 0.94 OPRM1 (0.71) BCHECNR2CNR1TRPV1OPRM1
SCHEMBL7858181 0.92 BCHE (0.76) BCHECNR2CNR1TRPV1OPRM1
SCHEMBL3646527 0.91 BCHE (0.76) BCHECNR2CNR1TRPV1OPRM1
SCHEMBL23258444 0.91 BCHE (0.71) BCHECNR2CNR1TRPV1OPRM1
SCHEMBL30394821 0.90 BCHE (0.87) BCHECNR2CNR1TRPV1OPRM1
SCHEMBL19472310 0.90 BCHE (0.80) BCHECNR2CNR1TRPV1OPRM1
SCHEMBL23160876 0.90 BCHE (0.80) BCHECNR2CNR1TRPV1OPRM1
SCHEMBL16404764 0.89 BCHE (0.66) BCHEOPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE47885-E1 Use of cannabidiol prodrugs in pharmaceutical compositions ZYNERBA PHARMACEUTICALS, INC. (US) 2020-03-03 US disclosed
US-9533942-B2 Use of cannabidiol prodrugs in topical and transdermal administration with microneedles ZYNERBA PHARMACEUTICALS, INC. (US) 2017-01-03 US disclosed
US-20150197484-A1 USE OF CANNABIDIOL PRODRUGS IN TOPICAL AND TRANSDERMAL ADMINISTRATION WITH MICRONEEDLES ZYNERBA PHARMACEUTICALS, INC. (US) 2015-07-16 US disclosed
US-20150197484-A1 USE OF CANNABIDIOL PRODRUGS IN TOPICAL AND TRANSDERMAL ADMINISTRATION WITH MICRONEEDLES ZYNERBA PHARMACEUTICALS, INC. (US) 2015-07-16 US disclosed
EP-2176208-B1 PRODRUGS OF CANNABIDIOL, COMPOSITIONS COMPRISING PRODRUGS OF CANNABIDIOL AND METHODS OF USING THE SAME ZYNERBA PHARMACEUTICALS INC (US) 2015-01-21 EP disclosed
US-8293786-B2 Prodrugs of cannabidiol, compositions comprising prodrugs of cannabidiol and methods of using the same ALLTRANZ INC. (US) 2012-10-23 US disclosed
US-20120202891-A1 Cannabinoid-Containing Compositions and Methods for Their Use UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2012-08-09 US disclosed
US-20120202891-A1 Cannabinoid-Containing Compositions and Methods for Their Use UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2012-08-09 US disclosed
WO-2011026144-A1 USE OF CANNABIDIOL PRODRUGS IN TOPICAL AND TRANSDERMAL ADMINISTRATION WITH MICRONEEDLES ALLTRANZ INC. (US) 2011-03-03 WO disclosed
US-20110052694-A1 USE OF CANNABIDIOL PRODRUGS IN TOPICAL AND TRANSDERMAL ADMINISTRATION WITH MICRONEEDLES ALLTRANZ INC. (US) 2011-03-03 US disclosed
US-20110052694-A1 USE OF CANNABIDIOL PRODRUGS IN TOPICAL AND TRANSDERMAL ADMINISTRATION WITH MICRONEEDLES ALLTRANZ INC. (US) 2011-03-03 US disclosed
WO-2010126501-A1 CANNABINOID-CONTAINING COMPOSITIONS AND METHODS FOR THEIR USE UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2010-11-04 WO disclosed
WO-2010127033-A1 FORMULATIONS OF CANNABIDIOL AND METHODS OF USING THE SAME ALLTRANZ INC. (US) 2010-11-04 WO disclosed
US-20100273895-A1 FORMULATIONS OF CANNABIDIOL AND PRODRUGS OF CANNABIDIOL AND METHODS OF USING THE SAME ALLTRANZ INC. (US) 2010-10-28 US disclosed
US-20100273895-A1 FORMULATIONS OF CANNABIDIOL AND PRODRUGS OF CANNABIDIOL AND METHODS OF USING THE SAME ALLTRANZ INC. (US) 2010-10-28 US disclosed
US-20090036523-A1 PRODRUGS OF CANNABIDIOL, COMPOSITIONS COMPRISING PRODRUGS OF CANNABIDIOL AND METHODS OF USING THE SAME ALLTRANZ INC. (US) 2009-02-05 US disclosed
US-20090036523-A1 PRODRUGS OF CANNABIDIOL, COMPOSITIONS COMPRISING PRODRUGS OF CANNABIDIOL AND METHODS OF USING THE SAME ALLTRANZ INC. (US) 2009-02-05 US disclosed
WO-2009018389-A1 PRODRUGS OF CANNABIDIOL, COMPOSITIONS COMPRISING PRODRUGS OF CANNABIDIOL AND METHODS OF USING THE SAME ALLTRANZ INC. (US) 2009-02-05 WO 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 (5 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-20090036523-A1 PRODRUGS OF CANNABIDIOL, COMPOSITIONS COMPRISING PRODRUGS OF CANNABIDIOL AND METHODS OF USING THE SAME CNR2, CNR1, FAAH BCHE 239/4885CNR2 1/4885CNR1 2/4885
US-20110052694-A1 USE OF CANNABIDIOL PRODRUGS IN TOPICAL AND TRANSDERMAL ADMINISTRATION WITH MICRONEEDLES PNLIP, CNR2, CNR1 BCHE 166/4885CNR2 2/4885CNR1 3/4885
US-20120202891-A1 Cannabinoid-Containing Compositions and Methods for Their Use CNR2, CNR1, FAAH BCHE 1507/4885CNR2 1/4885CNR1 2/4885
US-20100273895-A1 FORMULATIONS OF CANNABIDIOL AND PRODRUGS OF CANNABIDIOL AND METHODS OF USING THE SAME CNR2, CNR1, FAAH BCHE 129/4885CNR2 1/4885CNR1 2/4885
US-20150197484-A1 USE OF CANNABIDIOL PRODRUGS IN TOPICAL AND TRANSDERMAL ADMINISTRATION WITH MICRONEEDLES PNLIP, CNR2, CNR1 BCHE 166/4885CNR2 2/4885CNR1 3/4885

“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.