SCHEMBL18458090

SCHEMBL18458090

COc1ccc2c(c1OCc1ccccc1)C13CCN[C@@H](C2)[C@H]1CCC(=O)C3

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.44
SLC22A1 O15245 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
TSHR P16473 1/20 0.39
GRIN1 Q05586 1/20 0.39
GRIN2A Q12879 1/20 0.39
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
PMP22 Q01453 1/20 0.38
KMT2A Q03164 1/20 0.38
OPRM1 P35372 2/20 0.37
OPRD1 P41143 1/20 0.37
OPRK1 P41145 1/20 0.37
OGFRL1 Q5TC84 1/20 0.37
AGTR2 P50052 6/20 0.36
AGTR1 P30556 2/20 0.36
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36

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
SCHEMBL18474049 0.86 MEN1 (0.37) SLC22A1CYP3A4CYP2D6TSHRGRIN1
SCHEMBL12646217 0.85 OPRM1 (0.36) SLC22A1CYP3A4CYP2D6TSHRGRIN1
SCHEMBL12013639 0.85 OPRM1 (0.36) SLC22A1CYP3A4CYP2D6TSHRGRIN1
SCHEMBL18458091 0.85 OPRM1 (0.36) SLC22A1CYP3A4CYP2D6TSHRGRIN1
SCHEMBL22058857 0.83 OPRM1 (0.37) SLC22A1MEN1KMT2AOPRM1OPRD1
SCHEMBL2150392 0.82 GAA (0.48) GAASLC22A1CYP3A4CYP2D6TSHR
SCHEMBL14768978 0.81 GAA (0.66) GAASLC22A1CYP3A4CYP2D6TSHR
SCHEMBL10222582 0.81 GAA (0.66) GAASLC22A1CYP3A4CYP2D6TSHR
SCHEMBL16553121 0.77 GAA (0.37) GAASLC22A1OPRM1OPRD1OPRK1
SCHEMBL12588838 0.76 PTGER4 (0.33) SLC22A1CYP3A4CYP2D6TSHRGRIN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 GAA 1100/4885SLC22A1 1664/4885CYP3A4 2663/4885

“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.