SCHEMBL4335319

SCHEMBL4335319

COc1ccc2c3c1O[C@H]1[C@@H](OC(=O)c4ccccc4OC(C)=O)C=C[C@H]4[C@@H](C2)N(C)CC[C@@]341

nearest known ligand 0.69

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 13/20 0.69
▸ OPRK1 P41145 10/20 0.69
▸ OPRD1 P41143 6/20 0.69
▸ MRGPRX2 Q96LB1 3/20 0.62
▸ ADRB1 P08588 1/20 0.62
▸ PDE4D Q08499 1/20 0.62
▸ PDE3A Q14432 1/20 0.62

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
SCHEMBL3476300 0.90 OPRM1 (0.72) OPRM1OPRK1OPRD1MRGPRX2ADRB1
SCHEMBL13998951 0.88 OPRM1 (0.82) OPRM1OPRK1OPRD1MRGPRX2ADRB1
SCHEMBL16922125 0.88 OPRM1 (0.82) OPRM1OPRK1OPRD1MRGPRX2ADRB1
SCHEMBL3476558 0.88 OPRM1 (0.82) OPRM1OPRK1OPRD1MRGPRX2ADRB1
Aspirin SCHEMBL5482242 0.88 OPRM1 (0.64) OPRM1OPRK1OPRD1MRGPRX2ADRB1
SCHEMBL8418756 0.87 OPRM1 (0.76) OPRM1OPRK1OPRD1MRGPRX2ADRB1
SCHEMBL8769434 0.87 OPRM1 (0.67) OPRM1OPRK1OPRD1MRGPRX2ADRB1
Diacetylmorphine SCHEMBL16494311 0.86 OPRD1 (0.79) OPRM1OPRK1OPRD1MRGPRX2ADRB1
Diacetylmorphine SCHEMBL2638139 0.86 OPRD1 (0.79) OPRM1OPRK1OPRD1MRGPRX2ADRB1
Codeine SCHEMBL1642447 0.86 OPRD1 (0.74) OPRM1OPRK1OPRD1MRGPRX2ADRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005086960-A2 NARCOTIC-NSAID ION PAIRS AAIPHARMA, INC. (US) 2005-09-22 — — WO claimed
US-20050203115-A1 Narcotic-NSAID ion pairs WELLS FARGO BANK, N.A. 2005-09-15 — — US claimed
WO-2017066488-A1 TREATING PAIN USING A COMPOSITION COMPRISING AN OPIOID AND AN ANTIEMETIC CHARLESTON LABORATORIES, INC. (US) 2017-04-20 — — WO disclosed
EP-3129028-A1 PHARMACEUTICAL COMPOSITIONS Charleston Laboratories, Inc. (US) 2017-02-15 — — EP disclosed
US-20150290211-A1 PHARMACEUTICAL COMPOSITIONS LOCL PHARMA, INC. 2015-10-15 — — US disclosed
WO-2015157738-A1 PHARMACEUTICAL COMPOSITIONS CHARLESTON LABORATORIES, INC. (US) 2015-10-15 — — WO disclosed
EP-2021502-A1 NOVEL GENES AND MARKERS IN TYPE 2 DIABETES AND OBESITY Oy Jurilab Ltd (FI) 2009-02-11 — — EP disclosed
WO-2007128884-A1 NOVEL GENES AND MARKERS IN TYPE 2 DIABETES AND OBESITY OY JURILAB LTD (FI) 2007-11-15 — — WO disclosed
WO-2005086960-A2 NARCOTIC-NSAID ION PAIRS AAIPHARMA, INC. (US) 2005-09-22 — — WO disclosed
US-20050203115-A1 Narcotic-NSAID ion pairs WELLS FARGO BANK, N.A. 2005-09-15 — — US disclosed
US-5869498-A ADMINISTERING A COMBINATION OF OXYCODONE, NAPROXEN AND A NONTOXIC N-METHYL-D-ASPARATATE (NMDA) RECEPTOR ANTAGONIST SUCH AS DEXTRORPHAN OR DEXTROMETHORPHAN VIRGINIA COMMONWEALTH UNIVERSITY (US) 1999-02-09 — — US disclosed
US-5863922-A AN ANALGESICS MIXTURE COMPRISING ACETAMINOPHEN, SEDATIVE BUTALBITAL AND A N-METHYL-D-ASPARTATE RECEPTOR ANTAGONIST SELECTED FROM DEXTRORPHAN, DEXTROMETHORPHAN VIRGINIA COMMONWEALTH UNIVERSITY (US) 1999-01-26 — — US disclosed
US-5840731-A COMPOSITION COMPRISING OPIOID ANALGESIC, ACETAMINOPHEN, NONTOXIC N-METHYL-D-ASPARTATE RECEPTOR ANTAGONIST VIRGINIA COMMONWEALTH UNIVERSITY (US) 1998-11-24 — — US disclosed
EP-0845989-A2 PAIN-ALLEVIATING DRUG COMPOSITION AND METHOD FOR ALLEVIATING PAIN VIRGINIA COMMONWEALTH UNIVERSITY (US) 1998-06-10 — — EP disclosed
WO-1997004780-A2 PAIN-ALLEVIATING DRUG COMPOSITION AND METHOD FOR ALLEVIATING PAIN VIRGINIA COMMONWEALTH UNIVERSITY (US) 1997-02-13 — — WO disclosed
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