Thebaine

Thebaine

SCHEMBL10110846

COC1=CC=C2C3Cc4ccc(OC)c5c4C2(CCN3C)C1O5

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 14/20 1.00
MRGPRX2 Q96LB1 2/20 1.00
L3MBTL1 Q9Y468 1/20 1.00
OPRD1 P41143 11/20 0.46
OPRK1 P41145 8/20 0.46
LMNA P02545 1/20 0.46
PDE4D Q08499 1/20 0.46

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
Thebaine SCHEMBL13154680 1.00 OPRM1 (1.00) OPRM1MRGPRX2L3MBTL1OPRD1OPRK1
Thebaine SCHEMBL18457566 1.00 OPRM1 (1.00) OPRM1MRGPRX2L3MBTL1OPRD1OPRK1
Thebaine SCHEMBL12137749 1.00 OPRM1 (1.00) OPRM1MRGPRX2L3MBTL1OPRD1OPRK1
Thebaine SCHEMBL37580 1.00 OPRM1 (1.00) OPRM1MRGPRX2L3MBTL1OPRD1OPRK1
Thebaine SCHEMBL12646311 1.00 OPRM1 (1.00) OPRM1MRGPRX2L3MBTL1OPRD1OPRK1
Thebaine SCHEMBL173212 1.00 OPRM1 (1.00) OPRM1MRGPRX2L3MBTL1OPRD1OPRK1
Thebaine SCHEMBL17284777 1.00 OPRM1 (1.00) OPRM1MRGPRX2L3MBTL1OPRD1OPRK1
Thebaine SCHEMBL3122741 1.00 OPRM1 (1.00) OPRM1MRGPRX2L3MBTL1OPRD1OPRK1
Thebaine SCHEMBL12960959 1.00 OPRM1 (1.00) OPRM1MRGPRX2L3MBTL1OPRD1OPRK1
Thebaine SCHEMBL21131556 1.00 OPRM1 (1.00) OPRM1MRGPRX2L3MBTL1OPRD1OPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3321269-B1 PROCESS FOR PREPARING BUPRENORPHINE INTERMEDIATES JOHNSON MATTHEY PLC (GB) 2020-04-29 EP disclosed
US-10208054-B2 Method of preparing buprenorphine JOHNSON MATTHEY PUBLIC LIMITED COMPANY (GB) 2019-02-19 US disclosed
EP-2763996-B1 PROCESS FOR PREPARING BUPRENORPHINE JOHNSON MATTHEY PLC (GB) 2018-07-25 EP disclosed
EP-3321269-A1 PROCESS FOR PREPARING BUPRENORPHINE INTERMEDIATES Johnson Matthey Public Limited Company (GB) 2018-05-16 EP disclosed
US-20170217978-A1 METHOD OF PREPARING BUPRENORPHINE JOHNSON MATTHEY PUBLIC LIMITED COMPANY (GB) 2017-08-03 US disclosed
US-20170217978-A1 METHOD OF PREPARING BUPRENORPHINE JOHNSON MATTHEY PUBLIC LIMITED COMPANY (GB) 2017-08-03 US disclosed
US-9624231-B2 Method of preparing buprenorphine JOHNSON MATTHEY PUBLIC LIMITED COMPANY (GB) 2017-04-18 US disclosed
US-9624231-B2 Method of preparing buprenorphine JOHNSON MATTHEY PUBLIC LIMITED COMPANY (GB) 2017-04-18 US disclosed
EP-2480555-B1 METHODS FOR PRODUCING HYDROCODONE, HYDROMORPHONE OR A DERIVATIVE THEREOF MALLINCKRODT LLC (US) 2015-11-11 EP disclosed
US-8853401-B2 Processes for the preparation of morphinane and morphinone compounds BROCK UNIVERSITY (CA) 2014-10-07 US disclosed
US-20110071297-A1 Methods for Producing Hydrocodone, Hydromorphone or a Derivative Thereof MALLINCKRODT INC. (US) 2011-03-24 US disclosed
US-20100087647-A1 Processes for the production of buprenorphine with reduced impurity formation MALLINCKRODT INC. (US) 2010-04-08 US disclosed
US-20100087647-A1 Processes for the production of buprenorphine with reduced impurity formation MALLINCKRODT INC. (US) 2010-04-08 US disclosed
WO-2010039220-A1 PROCESSES FOR THE PRODUCTION OF BUPRENORPHINE WITH REDUCED IMPURITY FORMATION MALLINCKRODT INC. (US) 2010-04-08 WO disclosed
US-20100048905-A1 Novel Opiate Reduction Utilizing Catalytic Hydrogen Transfer Reaction STRATATECH CORPORATION 2010-02-25 US disclosed
US-20100048905-A1 Novel Opiate Reduction Utilizing Catalytic Hydrogen Transfer Reaction STRATATECH CORPORATION 2010-02-25 US disclosed
EP-1981891-B1 THE USE OF ORIPAVINE AS A STARTING MATERIAL FOR BUPRENORPHINE MALLINCKRODT INC (US) 2009-09-02 EP disclosed
WO-2008130553-A1 NOVEL OPIATE REDUCTION UTILIZING CATALYTIC HYDROGEN TRANSFER REACTION MALLINCKRODT INC. (US) 2008-10-30 WO disclosed
US-20080207906-A1 Synthetic Route to 14-Hydroxyl Opiates Through 1-Halo-Thebaine or Analogs MALLINCKRODT ENTERPRISES LLC 2008-08-28 US disclosed
US-20080207906-A1 Synthetic Route to 14-Hydroxyl Opiates Through 1-Halo-Thebaine or Analogs MALLINCKRODT ENTERPRISES LLC 2008-08-28 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 (6 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-20100048905-A1 Novel Opiate Reduction Utilizing Catalytic Hydrogen Transfer Reaction OPRD1, OPRK1, OPRM1 OPRM1 3/4885MRGPRX2 3333/4885L3MBTL1 4475/4885
US-20080207906-A1 Synthetic Route to 14-Hydroxyl Opiates Through 1-Halo-Thebaine or Analogs OPRK1, OPRM1, OPRD1 OPRM1 2/4885MRGPRX2 1172/4885L3MBTL1 1257/4885
US-20170217978-A1 METHOD OF PREPARING BUPRENORPHINE OPRK1, OPRM1, OPRD1 OPRM1 2/4885MRGPRX2 1972/4885L3MBTL1 2641/4885
US-20100087647-A1 Processes for the production of buprenorphine with reduced impurity formation CYP3A5, OPRM1, OPRK1 OPRM1 2/4885MRGPRX2 2569/4885L3MBTL1 945/4885
US-20110071297-A1 Methods for Producing Hydrocodone, Hydromorphone or a Derivative Thereof OPRK1, OPRD1, HAAO OPRM1 4/4885MRGPRX2 2968/4885L3MBTL1 2771/4885
US-10208054-B2 Method of preparing buprenorphine OPRK1, OPRM1, OPRD1 OPRM1 2/4885MRGPRX2 1972/4885L3MBTL1 2641/4885

“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.