SCHEMBL12646334

SCHEMBL12646334

COc1cc(Br)c2c(c1OC(C)=O)[C@@]13CCN(CC4CC4)C(C2)C1CCC(=O)C3

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 9/20 0.48
GAA P10253 1/20 0.43
OPRD1 P41143 9/20 0.39
OPRK1 P41145 8/20 0.39

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
SCHEMBL12588925 0.90 OPRM1 (0.49) OPRM1GAAOPRD1OPRK1
SCHEMBL12646375 0.88 GAA (0.52) OPRM1GAAOPRD1OPRK1
SCHEMBL10222586 0.84 OPRM1 (0.55) OPRM1GAAOPRD1OPRK1
SCHEMBL12588898 0.80 OPRM1 (0.53) OPRM1GAAOPRD1OPRK1
SCHEMBL10066077 0.79 GAA (0.54) OPRM1GAAOPRD1OPRK1
SCHEMBL10391150 0.77 GAA (0.52) OPRM1GAAOPRD1OPRK1
SCHEMBL10222583 0.77 OPRM1 (0.33) OPRM1GAAOPRD1OPRK1
SCHEMBL12646332 0.77 OPRM1 (0.51) OPRM1GAAOPRD1OPRK1
SCHEMBL12646269 0.77 GAA (0.51) OPRM1GAAOPRD1OPRK1
SCHEMBL12588922 0.76 OPRM1 (0.58) OPRM1GAAOPRD1OPRK1

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 9 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-10363251-B2 (+)-morphinans as antagonists of toll-like receptor 9 and therapeutic uses thereof MALLINCKRODT LLC (US) 2019-07-30 US disclosed
EP-2453895-B1 (+) - MORPHINANS AS ANTAGONISTS OF TOLL-LIKE RECEPTOR 9 AND THERAPEUTIC USES THEREOF MALLINCKRODT LLC (US) 2018-05-23 EP 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-20150335638-A1 (+)-MORPHINANS AS ANTAGONISTS OF TOLL-LIKE RECEPTOR 9 AND THERAPEUTIC USES THEREOF STRATATECH CORPORATION 2015-11-26 US disclosed
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 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 OPRM1 5/4885GAA 1100/4885OPRD1 13/4885
US-20110136845-A1 (+)-Morphinans as Antagonists of Toll-Like Receptor 9 and Therapeutic Uses Thereof TLR9, TLR3, TLR7 OPRM1 5/4885GAA 1100/4885OPRD1 13/4885
US-10363251-B2 (+)-morphinans as antagonists of toll-like receptor 9 and therapeutic uses thereof TLR9, TLR3, TLR7 OPRM1 30/4885GAA 1006/4885OPRD1 141/4885
US-11142502-B2 (+)-morphinans as antagonists of Toll-like receptor 9 and therapeutic uses thereof TLR9, TLR3, TLR7 OPRM1 5/4885GAA 1100/4885OPRD1 13/4885
US-20200172488-A1 (+)-MORPHINANS AS ANTAGONISTS OF TOLL-LIKE RECEPTOR 9 AND THERAPEUTIC USES THEREOF TLR9, TLR3, TLR7 OPRM1 5/4885GAA 1100/4885OPRD1 13/4885
US-20150335638-A1 (+)-MORPHINANS AS ANTAGONISTS OF TOLL-LIKE RECEPTOR 9 AND THERAPEUTIC USES THEREOF TLR9, TLR3, TLR7 OPRM1 30/4885GAA 1006/4885OPRD1 141/4885
US-20110015219-A1 (+)-Morphinans as Antagonists of Toll-Like Receptor 9 and Therapeutic Uses Thereof TLR9, TLR3, TLR1 OPRM1 17/4885GAA 2289/4885OPRD1 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.