SCHEMBL23329769

SCHEMBL23329769

CC[C@@]12CCCC[C@@H]1[C@@H](N(C)CC(O)COc1ccccc1)Cc1ccc(OC)cc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 7/20 0.45
▸ OPRK1 P41145 7/20 0.45
▸ OPRD1 P41143 6/20 0.45
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ PRMT5 O14744 1/20 0.40
▸ WDR77 Q9BQA1 1/20 0.40
▸ GRIN1 Q05586 4/20 0.39
▸ GRIN2A Q12879 4/20 0.39
▸ SLC22A1 O15245 2/20 0.39
▸ CYP2D6 P10635 2/20 0.39
▸ TSHR P16473 2/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ GRIN2D O15399 3/20 0.38
▸ GRIN3B O60391 3/20 0.38
▸ GRIN2B Q13224 3/20 0.38
▸ GRIN2C Q14957 3/20 0.38
▸ GRIN3A Q8TCU5 3/20 0.38
▸ SLC6A4 P31645 2/20 0.38
▸ SIGMAR1 Q99720 2/20 0.38

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
SCHEMBL23329597 0.87 GRIN1 (0.36) OPRM1OPRK1MEN1KMT2AGRIN1
SCHEMBL23329588 0.82 OPRM1 (0.46) OPRM1OPRK1OPRD1MEN1KMT2A
SCHEMBL22945773 0.81 GRIN1 (0.46) OPRM1OPRK1MEN1KMT2AGRIN1
SCHEMBL23329634 0.81 CYP2D6 (0.41) OPRM1OPRK1GRIN1GRIN2ASLC22A1
SCHEMBL18174911 0.79 GRIN1 (0.47) OPRM1OPRK1MEN1KMT2AGRIN1
SCHEMBL23072577 0.77 GRIN1 (0.43) OPRM1OPRK1MEN1KMT2AGRIN1
SCHEMBL24168724 0.74 GRIN1 (0.41) OPRM1OPRK1OPRD1MEN1KMT2A
SCHEMBL16015668 0.74 GRIN1 (0.46) OPRM1OPRK1MEN1KMT2AGRIN1
SCHEMBL25906877 0.73 GRIN1 (0.43) OPRM1OPRK1MEN1KMT2AGRIN1
SCHEMBL23329761 0.73 GRIN1 (0.41) OPRM1OPRK1MEN1KMT2AGRIN1

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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