SCHEMBL12960902

SCHEMBL12960902

COc1ccc2c(c1O)[C@@]13CCN(C)[C@@H](C2)[C@H]1CCC(=O)C3

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 1.00
OPRM1 P35372 9/20 0.70
OPRD1 P41143 6/20 0.70
OPRK1 P41145 4/20 0.70
MRGPRX2 Q96LB1 2/20 0.62
KDM4E B2RXH2 1/20 0.62
CYP3A4 P08684 1/20 0.62
MAPT P10636 1/20 0.62
CYP2D6 P10635 1/20 0.62
L3MBTL1 Q9Y468 1/20 0.62
LMNA P02545 1/20 0.56
PDE4D Q08499 1/20 0.56

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
SCHEMBL21148321 1.00 GAA (1.00) GAAOPRM1OPRD1OPRK1MRGPRX2
SCHEMBL13301309 1.00 GAA (1.00) GAAOPRM1OPRD1OPRK1MRGPRX2
SCHEMBL16444993 1.00 GAA (1.00) GAAOPRM1OPRD1OPRK1MRGPRX2
SCHEMBL12717587 1.00 GAA (1.00) GAAOPRM1OPRD1OPRK1MRGPRX2
SCHEMBL12717590 1.00 GAA (1.00) GAAOPRM1OPRD1OPRK1MRGPRX2
SCHEMBL18457700 1.00 GAA (1.00) GAAOPRM1OPRD1OPRK1MRGPRX2
SCHEMBL12960964 1.00 GAA (1.00) GAAOPRM1OPRD1OPRK1MRGPRX2
SCHEMBL14371364 1.00 GAA (1.00) GAAOPRM1OPRD1OPRK1MRGPRX2
SCHEMBL29851816 0.88 GAA (0.79) GAAOPRM1OPRD1OPRK1MRGPRX2
SCHEMBL14371362 0.88 GAA (0.79) GAAOPRM1OPRD1OPRK1MRGPRX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11142502-B2 (+)-morphinans as antagonists of Toll-like receptor 9 and therapeutic uses thereof MALLINCKRODT LLC (US) 2021-10-12 US disclosed
US-20200172488-A1 (+)-MORPHINANS AS ANTAGONISTS OF TOLL-LIKE RECEPTOR 9 AND THERAPEUTIC USES THEREOF MALLINCKRODT LLC 2020-06-04 US disclosed
US-9562014-B2 (+)-morphinans as antagonists of toll-like receptor 9 and therapeutic uses thereof MALLINCKRODT LLC (US) 2017-02-07 US disclosed
US-20170029432-A1 (+)-MORPHINANS AS ANTAGONISTS OF TOLL-LIKE RECEPTOR 9 AND THERAPEUTIC USES THEREOF MALLINCKRODT ENTERPRISES LLC 2017-02-02 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

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-20170029432-A1 (+)-MORPHINANS AS ANTAGONISTS OF TOLL-LIKE RECEPTOR 9 AND THERAPEUTIC USES THEREOF TLR9, TLR3, TLR7 GAA 1100/4885OPRM1 5/4885OPRD1 13/4885
US-11142502-B2 (+)-morphinans as antagonists of Toll-like receptor 9 and therapeutic uses thereof TLR9, TLR3, TLR7 GAA 1100/4885OPRM1 5/4885OPRD1 13/4885
US-20200172488-A1 (+)-MORPHINANS AS ANTAGONISTS OF TOLL-LIKE RECEPTOR 9 AND THERAPEUTIC USES THEREOF TLR9, TLR3, TLR7 GAA 1100/4885OPRM1 5/4885OPRD1 13/4885
US-20110015219-A1 (+)-Morphinans as Antagonists of Toll-Like Receptor 9 and Therapeutic Uses Thereof TLR9, TLR3, TLR1 GAA 2289/4885OPRM1 17/4885OPRD1 51/4885

“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.