SCHEMBL2785528

SCHEMBL2785528

NC(=O)c1ccc2c3c1O[C@H]1C(=O)CC[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 12/20 1.00
OPRM1 P35372 12/20 1.00
OPRK1 P41145 12/20 1.00
CYP2D6 P10635 4/20 0.77
CHRNA7 P36544 1/20 0.77
CYP1A2 P05177 1/20 0.77
PKM P14618 1/20 0.77
SMN1; SMN2 Q16637 1/20 0.76
LMNA P02545 2/20 0.75
HIF1A Q16665 1/20 0.75
ALDH1A1 P00352 1/20 0.74
CYP3A4 P08684 1/20 0.74
TSHR P16473 1/20 0.74
HSD17B10 Q99714 1/20 0.74
BLM P54132 1/20 0.73

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
SCHEMBL3831728 1.00 OPRD1 (1.00) OPRD1OPRM1OPRK1CYP2D6CHRNA7
SCHEMBL19632954 1.00 OPRD1 (1.00) OPRD1OPRM1OPRK1CYP2D6CHRNA7
SCHEMBL45924 1.00 OPRD1 (1.00) OPRD1OPRM1OPRK1CYP2D6CHRNA7
SCHEMBL2785531 1.00 OPRD1 (1.00) OPRD1OPRM1OPRK1CYP2D6CHRNA7
SCHEMBL13171965 1.00 OPRD1 (1.00) OPRD1OPRM1OPRK1CYP2D6CHRNA7
SCHEMBL29265327 1.00 OPRD1 (1.00) OPRD1OPRM1OPRK1CYP2D6CHRNA7
SCHEMBL2785024 1.00 OPRD1 (1.00) OPRD1OPRM1OPRK1CYP2D6CHRNA7
SCHEMBL3831721 1.00 OPRD1 (1.00) OPRD1OPRM1OPRK1CYP2D6CHRNA7
SCHEMBL16445250 0.97 OPRD1 (0.93) OPRD1OPRM1OPRK1CYP2D6CHRNA7
SCHEMBL19181060 0.97 OPRD1 (0.93) OPRD1OPRM1OPRK1CYP2D6CHRNA7

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 72 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2099456-A2 N-OXIDES OF 4,5-EPOXY-MORPHINANIUM ANALOGS Progenics Pharmaceuticals, Inc. (US) 2009-09-16 EP claimed
WO-2009067275-A1 N-OXIDES OF 4,5-EPOXY-MORPHINANIUM ANALOGS PROGENICS PHARMACEUTICALS, INC (US) 2009-05-28 WO claimed
WO-2008070462-A2 N-OXIDES OF 4,5-EPOXY-MORPHINANIUM ANALOGS PROGENICS PHARMACEUTICALS, INC. (US) 2008-06-12 WO claimed
US-20210196703-A1 COMPOSITIONS OF BUPRENORPHINE AND µ ANTAGONISTS ALKERMES PHARMA IRELAND LTD (IE) 2021-07-01 US disclosed
US-20200383970-A1 Morphinan Derivatives with High Oral Bioavailability ALKERMES PHARMA IRELAND LIMITED (IE) 2020-12-10 US disclosed
US-20200345718-A1 Morphinan Derivatives for the Treatment of Drug Overdose ALKERMES PHARMA IRELAND LIMITED (IE) 2020-11-05 US disclosed
US-10806731-B2 Compositions of buprenorphine and μ antagonists ALKERMES PHARMA IRELAND LIMITED (IE) 2020-10-20 US disclosed
EP-2790702-B1 COMPOSITIONS OF BUPRENORPHINE AND MU-OPIOID RECEPTOR ANTAGONISTS ALKERMES PHARMA IRELAND LTD (IE) 2020-04-01 EP disclosed
EP-3569234-A1 MORPHINAN DERIVATIVES FOR THE TREATMENT OF DRUG OVERDOSE Alkermes Pharma Ireland Limited (IE) 2019-11-20 EP disclosed
US-20190247387-A1 Compositions of Buprenorphine and µ Antagonists JPMORGAN CHASE BANK, N.A. AS ADMINISTRATIVE AGENT 2019-08-15 US disclosed
US-10188643-B2 Compositions of buprenorphine and μ antagonists ALKERMES PHARMA IRELAND LIMITED (IE) 2019-01-29 US disclosed
US-20090197905-A1 QUATERNARY OPIOID CARBOXAMIDES RENSSELAER POLYTECHNIC INSTITUTE (US) 2009-08-06 US disclosed
US-20090197905-A1 QUATERNARY OPIOID CARBOXAMIDES RENSSELAER POLYTECHNIC INSTITUTE (US) 2009-08-06 US disclosed
US-20090197905-A1 QUATERNARY OPIOID CARBOXAMIDES RENSSELAER POLYTECHNIC INSTITUTE (US) 2009-08-06 US disclosed
WO-2009067275-A1 N-OXIDES OF 4,5-EPOXY-MORPHINANIUM ANALOGS PROGENICS PHARMACEUTICALS, INC (US) 2009-05-28 WO disclosed
WO-2009023567-A1 QUATERNARY OPIOID CARBOXAMIDES RENSSELAER POLYTECHNIC INSTITUTE (US) 2009-02-19 WO disclosed
WO-2009023567-A1 QUATERNARY OPIOID CARBOXAMIDES RENSSELAER POLYTECHNIC INSTITUTE (US) 2009-02-19 WO disclosed
WO-2008070462-A2 N-OXIDES OF 4,5-EPOXY-MORPHINANIUM ANALOGS PROGENICS PHARMACEUTICALS, INC. (US) 2008-06-12 WO disclosed
US-20070099947-A1 Methods and compositions for the treatment of brain reward system disorders by combination therapy ALKERMES, INC. (US) 2007-05-03 US disclosed
US-20070099947-A1 Methods and compositions for the treatment of brain reward system disorders by combination therapy ALKERMES, INC. (US) 2007-05-03 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 (8 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-10806731-B2 Compositions of buprenorphine and μ antagonists OPRM1, OPRD1, OPRL1 OPRD1 2/4885OPRM1 1/4885OPRK1 4/4885
US-20070099947-A1 Methods and compositions for the treatment of brain reward system disorders by combination therapy GRIN2B, OPRK1, GRIN3B OPRD1 8/4885OPRM1 6/4885OPRK1 2/4885
US-20190247387-A1 Compositions of Buprenorphine and µ Antagonists OPRM1, OPRD1, OPRK1 OPRD1 2/4885OPRM1 1/4885OPRK1 3/4885
US-20090197905-A1 QUATERNARY OPIOID CARBOXAMIDES OPRK1, OPRM1, OPRD1 OPRD1 3/4885OPRM1 2/4885OPRK1 1/4885
US-20200383970-A1 Morphinan Derivatives with High Oral Bioavailability OPRM1, OPRD1, OPRK1 OPRD1 2/4885OPRM1 1/4885OPRK1 3/4885
US-10188643-B2 Compositions of buprenorphine and μ antagonists OPRM1, OPRD1, OPRL1 OPRD1 2/4885OPRM1 1/4885OPRK1 4/4885
US-20210196703-A1 COMPOSITIONS OF BUPRENORPHINE AND µ ANTAGONISTS OPRM1, OPRD1, OPRL1 OPRD1 2/4885OPRM1 1/4885OPRK1 4/4885
US-20200345718-A1 Morphinan Derivatives for the Treatment of Drug Overdose OPRM1, OPRD1, OPRK1 OPRD1 2/4885OPRM1 1/4885OPRK1 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.