SCHEMBL18458091

SCHEMBL18458091

COc1ccc2c(c1OCc1ccccc1)[C@@]13CCN[C@@H](C2)[C@H]1CC(C)C(=O)C3

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.36
OPRD1 P41143 1/20 0.36
OPRK1 P41145 1/20 0.36
OGFRL1 Q5TC84 1/20 0.36
MEN1 O00255 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
AGTR2 P50052 6/20 0.36
AGTR1 P30556 2/20 0.36
BCHE P06276 2/20 0.36
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
MRGPRX2 Q96LB1 1/20 0.35
MAPT P10636 1/20 0.35
BRD4 O60885 1/20 0.34
CREBBP Q92793 1/20 0.34
SLC22A1 O15245 1/20 0.34
CYP3A4 P08684 1/20 0.34

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
SCHEMBL12013639 0.91 OPRM1 (0.36) OPRM1OPRD1OPRK1OGFRL1MEN1
SCHEMBL12646217 0.91 OPRM1 (0.36) OPRM1OPRD1OPRK1OGFRL1MEN1
SCHEMBL22058857 0.90 OPRM1 (0.37) OPRM1OPRD1OPRK1OGFRL1MEN1
SCHEMBL18474049 0.85 MEN1 (0.37) OPRM1OPRD1OPRK1OGFRL1MEN1
SCHEMBL18458090 0.85 GAA (0.44) OPRM1OPRD1OPRK1OGFRL1MEN1
SCHEMBL21202021 0.83 MEN1 (0.36) MEN1HTTKMT2ABCHEPDE4A
SCHEMBL12588838 0.82 PTGER4 (0.33) OPRM1OPRD1OPRK1OGFRL1MEN1
SCHEMBL11263244 0.81 GAA (0.47) OPRM1OPRD1MEN1KMT2AMRGPRX2
SCHEMBL11263235 0.81 GAA (0.47) OPRM1OPRD1MEN1KMT2AMRGPRX2
SCHEMBL20170712 0.76 MEN1 (0.38) MEN1HTTKMT2AAGTR2AGTR1

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-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

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

For each of this compound's patents that has machine-readable text (1 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 5/4885OPRD1 13/4885OPRK1 11/4885

“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.