SCHEMBL23329634

SCHEMBL23329634

CC[C@@]12CCCC[C@@H]1[C@@H](N(C)CC(O)CN1CCOCC1)Cc1ccc(OC)cc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2D6 P10635 4/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ GRIN1 Q05586 4/20 0.39
▸ GRIN2A Q12879 4/20 0.39
▸ GRIN2D O15399 3/20 0.39
▸ GRIN3B O60391 3/20 0.39
▸ GRIN2B Q13224 3/20 0.39
▸ GRIN2C Q14957 3/20 0.39
▸ GRIN3A Q8TCU5 3/20 0.39
▸ SLC6A4 P31645 2/20 0.39
▸ SIGMAR1 Q99720 2/20 0.39
▸ SLC22A1 O15245 2/20 0.39
▸ TSHR P16473 2/20 0.39
▸ ADRA2A P08913 1/20 0.39
▸ ADRA2C P18825 1/20 0.39
▸ SLC6A2 P23975 1/20 0.39
▸ TACR1 P25103 1/20 0.39
▸ HTR2A P28223 1/20 0.39
▸ ADRA1A P35348 1/20 0.39
▸ OPRM1 P35372 1/20 0.39

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
SCHEMBL23330088 0.83 CYP2D6 (0.41) CYP2D6L3MBTL1GRIN1GRIN2AGRIN2D
SCHEMBL23329597 0.81 GRIN1 (0.36) CYP2D6GRIN1GRIN2AGRIN2DGRIN3B
SCHEMBL23329769 0.81 OPRM1 (0.45) CYP2D6GRIN1GRIN2AGRIN2DGRIN3B
SCHEMBL22945773 0.80 GRIN1 (0.46) CYP2D6GRIN1GRIN2AGRIN2DGRIN3B
SCHEMBL18174911 0.78 GRIN1 (0.47) CYP2D6GRIN1GRIN2AGRIN2DGRIN3B
SCHEMBL23072577 0.75 GRIN1 (0.43) CYP2D6GRIN1GRIN2AGRIN2DGRIN3B
SCHEMBL23329636 0.73 OPRM1 (0.59) CYP2D6GRIN1GRIN2AGRIN2DGRIN3B
SCHEMBL25906877 0.71 GRIN1 (0.43) CYP2D6GRIN1GRIN2AGRIN2DGRIN3B
SCHEMBL23329761 0.71 GRIN1 (0.41) CYP2D6GRIN1GRIN2AGRIN2DGRIN3B
SCHEMBL24168724 0.70 GRIN1 (0.41) CYP2D6GRIN1GRIN2AGRIN2DGRIN3B

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 CYP2D6 3033/4885L3MBTL1 4633/4885GRIN1 656/4885

“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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