Thebaine

Thebaine

SCHEMBL12646311

COC1=CC=C2[C@@H]3Cc4ccc(OC)c5c4[C@]2(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 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
Thebaine SCHEMBL10110846 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110136845-A1 (+)-Morphinans as Antagonists of Toll-Like Receptor 9 and Therapeutic Uses Thereof MALLINCKRODT INC. (US) 2011-06-09 US disclosed
US-20110015219-A1 (+)-Morphinans as Antagonists of Toll-Like Receptor 9 and Therapeutic Uses Thereof MALLINCKRODT INC. (US) 2011-01-20 US disclosed
WO-2011009015-A1 (+) - MORPHINANS AS ANTAGONISTS OF TOLL-LIKE RECEPTOR 9 AND THERAPEUTIC USES THEREOF MALLINCKRODT INC. (US) 2011-01-20 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 (2 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-20110136845-A1 (+)-Morphinans as Antagonists of Toll-Like Receptor 9 and Therapeutic Uses Thereof TLR9, TLR3, TLR7 OPRM1 5/4885MRGPRX2 163/4885L3MBTL1 4120/4885
US-20110015219-A1 (+)-Morphinans as Antagonists of Toll-Like Receptor 9 and Therapeutic Uses Thereof TLR9, TLR3, TLR1 OPRM1 17/4885MRGPRX2 198/4885L3MBTL1 1341/4885

“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.