SCHEMBL23329587

SCHEMBL23329587

COc1ccc2c(c1)[C@]13CCCC[C@@H]1[C@H](C2)N(CC(O)COc1ccccc1)CC3

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 11/20 0.73
▸ OPRK1 P41145 11/20 0.73
▸ OPRD1 P41143 10/20 0.73
▸ GRIN2D O15399 2/20 0.60
▸ GRIN3B O60391 2/20 0.60
▸ SLC6A4 P31645 2/20 0.60
▸ GRIN1 Q05586 2/20 0.60
▸ GRIN2A Q12879 2/20 0.60
▸ GRIN2B Q13224 2/20 0.60
▸ GRIN2C Q14957 2/20 0.60
▸ GRIN3A Q8TCU5 2/20 0.60
▸ SIGMAR1 Q99720 2/20 0.60
▸ SLC22A1 O15245 1/20 0.60
▸ ADRA2A P08913 1/20 0.60
▸ CYP2D6 P10635 1/20 0.60
▸ TSHR P16473 1/20 0.60
▸ ADRA2C P18825 1/20 0.60
▸ SLC6A2 P23975 1/20 0.60
▸ TACR1 P25103 1/20 0.60
▸ HTR2A P28223 1/20 0.60

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
SCHEMBL23329324 0.87 OPRM1 (0.58) OPRM1OPRK1OPRD1GRIN2DGRIN3B
SCHEMBL23329636 0.83 OPRM1 (0.59) OPRM1OPRK1OPRD1GRIN2DGRIN3B
SCHEMBL2402015 0.82 OPRM1 (0.67) OPRM1OPRK1OPRD1GRIN2DGRIN3B
SCHEMBL20809260 0.82 OPRM1 (0.67) OPRM1OPRK1OPRD1GRIN2DGRIN3B
Bromide SCHEMBL1616477 0.82 CYP3A4 (0.68) OPRM1OPRK1OPRD1GRIN2DGRIN3B
Oxalic Acid SCHEMBL30550905 0.80 OPRD1 (0.64) OPRM1OPRK1OPRD1GRIN2DGRIN3B
Oxalic Acid SCHEMBL20797723 0.80 OPRD1 (0.64) OPRM1OPRK1OPRD1GRIN2DGRIN3B
SCHEMBL26001097 0.80 OPRM1 (0.72) OPRM1OPRK1OPRD1GRIN2DGRIN3B
SCHEMBL2508598 0.79 OPRM1 (0.63) OPRM1OPRK1OPRD1GRIN2DGRIN3B
SCHEMBL2508596 0.79 OPRM1 (0.63) OPRM1OPRK1OPRD1GRIN2DGRIN3B

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-20210130316-A1 MORPHINAN DERIVATIVES AND COMPOSITIONS COMPRISING THE SAME FOR TREATING AUTOIMMUNE, INFLAMMATION OR INFECTION RELATED DISORDERS TAIWANJ PHARMACEUTICALS CO., LTD (TW) 2021-05-06 — — 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-20210130316-A1 MORPHINAN DERIVATIVES AND COMPOSITIONS COMPRISING THE SAME FOR TREATING AUTOIMMUNE, INFLAMMATION OR INFECTION RELATED DISORDERS TLR4, TLR1, TLR3 OPRM1 361/4885OPRK1 945/4885OPRD1 833/4885

“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.

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