Codeine

Codeine

SCHEMBL3047135

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

nearest known ligand 0.91

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

OPRD1OPRK1OPRM1

The experimentally established mechanism targets of Codeine. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
OPRM1 known ✓ P35372 8/20 0.91
OPRD1 known ✓ P41143 9/20 0.89
OPRK1 known ✓ P41145 6/20 0.89
MRGPRX2 Q96LB1 4/20 0.89
ADRB1 P08588 1/20 0.89
PDE4D Q08499 1/20 0.89
PDE3A Q14432 1/20 0.89
SLC22A1 O15245 1/20 0.68
ADRA2A P08913 1/20 0.68
ARRB1 P49407 1/20 0.68

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
Codeine SCHEMBL3047133 1.00 OPRM1 (0.91) OPRM1OPRD1OPRK1MRGPRX2ADRB1
Codeine SCHEMBL38654010 0.99 OPRD1 (0.91) OPRM1OPRD1OPRK1MRGPRX2ADRB1
Codeine SCHEMBL10747292 0.99 OPRD1 (0.91) OPRM1OPRD1OPRK1MRGPRX2ADRB1
Codeine SCHEMBL24865 0.99 OPRD1 (0.91) OPRM1OPRD1OPRK1MRGPRX2ADRB1
Codeine SCHEMBL24863 0.99 OPRD1 (0.91) OPRM1OPRD1OPRK1MRGPRX2ADRB1
Codeine SCHEMBL24864 0.99 OPRD1 (0.91) OPRM1OPRD1OPRK1MRGPRX2ADRB1
Codeine SCHEMBL10747288 0.99 OPRD1 (0.91) OPRM1OPRD1OPRK1MRGPRX2ADRB1
Codeine SCHEMBL7936660 0.96 OPRD1 (0.86) OPRM1OPRD1OPRK1MRGPRX2ADRB1
Codeine SCHEMBL3475282 0.96 OPRD1 (0.89) OPRM1OPRD1OPRK1MRGPRX2ADRB1
Codeine SCHEMBL7632902 0.95 OPRM1 (1.00) OPRM1OPRD1OPRK1MRGPRX2ADRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150164835-A1 Opioid Salts with Release Properties and Characteristics Useful for Abuse Deterrent Drug Product Formulations PISGAH LABORATORIES, INC. 2015-06-18 US disclosed
CN-102387704-A Agonists and antagonists of the S1P5 receptor, and methods of uses thereof ABBOTT LAB 2012-03-21 CN disclosed
EP-2395835-A1 AGONISTS AND ANTAGONISTS OF THE SIP5 RECEPTOR, AND METHODS OF USES THEREOF Abbott Laboratories (US) 2011-12-21 EP disclosed
US-20100216762-A1 Agonists and Antagonists of the S1P5 Receptor, and Methods of Use Thereof ABBOTT LABORATORIES (US) 2010-08-26 US disclosed
WO-2010093704-A1 AGONISTS AND ANTAGONISTS OF THE S1P5 RECEPTOR, AND METHODS OF USES THEREOF ABBOTT LABORATORIES (US) 2010-08-19 WO disclosed
EP-1638975-A2 METHOD FOR PREPARING OXYCODONE Boehringer Ingelheim Chemicals, Inc. (US) 2006-03-29 EP disclosed
US-6469170-B1 PRODUCING A DIENOL ORGANOSILYL ETHER AT POSITION 6 OF THE C-RING OF CODEINONE THEREBY FORMING DIENOL ORGANOSILYL ETHER CONGENER OF CODEINONE; OXIDIZING DIENOL ORGANOSILYL ETHER TO FORM 14-HYDROXYCODEINONE; HYDROGENATING TO PRODUCE OXYCODONE BOEHRINGER INGELHEIM CHEMICALS, INC. 2002-10-22 US disclosed
US-20020143183-A1 METHOD FOR PREPARING OXYCODONE BOEHRINGER INGELHEIM CHEMICALS, INC. (US) 2002-10-03 US disclosed
US-6403798-B2 PRODUCING A DIENOL ORGANOSILYL ETHER AT POSITION 6 OF THE C-RING OF CODEINONE THEREBY FORMING A DIENOL ORGANOSILYL ETHER CONGENER OF CODEINONE, OXIDIZING THE INTERMEDIATE TO FORM 14-HYDROXYCODEINONE, AND HYDROGENATING UNSATURATION BOEHRINGER INGELHEIM CHEMICALS, INC. 2002-06-11 US disclosed
US-6262266-B1 REACTING MORPHINAN-6-ONE COMPOUND WITH ORGANOSILYL COMPOUND IN PRESENCE OF STRONG AMINE BASE AND APROTIC SOLVENT BOEHRINGER INGELHEIM CHEMICALS, INC. 2001-07-17 US disclosed
US-20010005754-A1 Method for preparing oxycodone CHIU FANG-TING (US) 2001-06-28 US disclosed
WO-2001029047-A2 METHOD FOR PREPARING OXYCODONE BOEHRINGER INGELHEIM CHEMICALS, INC. (US) 2001-04-26 WO disclosed
WO-2001029048-A2 METHOD FOR PREPARING OXYCODONE BOEHRINGER INGELHEIM CHEMICALS, INC. (US) 2001-04-26 WO disclosed
US-6177567-B1 FORMATION OF AN DIENOLSILYL ETHER CONGENER OF CODEINONE; OXIDATION OF THE DIENOLSILYL ETHER CONGENER AND HYDROGENATION OF THE RESULTING 14-HYDROXYCODEINONE PRODUCT. BOEHRINGER INGELHEIM CHEMICALS, INC. 2001-01-23 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 (4 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-20100216762-A1 Agonists and Antagonists of the S1P5 Receptor, and Methods of Use Thereof S1PR5, LPAR5, S1PR1 OPRM1 209/4885OPRD1 215/4885OPRK1 72/4885
US-20010005754-A1 Method for preparing oxycodone OPRK1, OPRM1, OPRD1 OPRM1 2/4885OPRD1 3/4885OPRK1 1/4885
US-20150164835-A1 Opioid Salts with Release Properties and Characteristics Useful for Abuse Deterrent Drug Product Formulations OPRM1, OPRK1, OPRL1 OPRM1 1/4885OPRD1 4/4885OPRK1 2/4885
US-20020143183-A1 METHOD FOR PREPARING OXYCODONE OPRK1, OPRM1, OPRD1 OPRM1 2/4885OPRD1 3/4885OPRK1 1/4885

“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.