SCHEMBL22058985

SCHEMBL22058985

COc1ccc2c(c1O)C13CCN(CC4CC4)C(C2)C1CCC(=O)C3

nearest known ligand 0.76

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.76
OPRM1 P35372 8/20 0.67
OPRD1 P41143 3/20 0.62
OPRK1 P41145 3/20 0.54
KDM4E B2RXH2 1/20 0.49
CYP3A4 P08684 1/20 0.49
MAPT P10636 1/20 0.49
CYP2D6 P10635 1/20 0.49
MRGPRX2 Q96LB1 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49

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
SCHEMBL22058844 1.00 GAA (0.76) GAAOPRM1OPRD1OPRK1KDM4E
SCHEMBL10222579 1.00 GAA (0.76) GAAOPRM1OPRD1OPRK1KDM4E
SCHEMBL17284763 0.96 GAA (0.73) GAAOPRM1OPRD1OPRK1KDM4E
SCHEMBL12960788 0.96 GAA (0.73) GAAOPRM1OPRD1OPRK1KDM4E
SCHEMBL12646380 0.96 GAA (0.73) GAAOPRM1OPRD1OPRK1KDM4E
SCHEMBL18473577 0.96 GAA (0.73) GAAOPRM1OPRD1OPRK1KDM4E
SCHEMBL21202057 0.88 GAA (0.75) GAAOPRM1OPRD1OPRK1KDM4E
SCHEMBL22058796 0.88 GAA (0.75) GAAOPRM1OPRD1OPRK1KDM4E
SCHEMBL10223930 0.88 GAA (0.75) GAAOPRM1OPRD1OPRK1KDM4E
SCHEMBL11176847 0.88 OPRM1 (0.60) GAAOPRM1OPRD1OPRK1

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 2 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

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-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

“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.