SCHEMBL23329588

SCHEMBL23329588

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 7/20 0.46
▸ OPRK1 P41145 7/20 0.46
▸ OPRD1 P41143 6/20 0.46
▸ MEN1 O00255 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.41
▸ CASR P41180 1/20 0.40
▸ SLC22A1 O15245 2/20 0.39
▸ CYP2D6 P10635 2/20 0.39
▸ TSHR P16473 2/20 0.39
▸ GRIN1 Q05586 2/20 0.39
▸ GRIN2A Q12879 2/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ NPY1R P25929 1/20 0.39
▸ GRIN2D O15399 1/20 0.39
▸ GRIN3B O60391 1/20 0.39
▸ ADRA2A P08913 1/20 0.39
▸ ADRA2C P18825 1/20 0.39
▸ SLC6A2 P23975 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
SCHEMBL23329328 0.86 GRIN1 (0.36) OPRM1OPRK1OPRD1MEN1LMNA
SCHEMBL23329769 0.82 OPRM1 (0.45) OPRM1OPRK1OPRD1MEN1LMNA
SCHEMBL23836805 0.81 GRIN1 (0.47) OPRM1OPRK1MEN1LMNAKMT2A
SCHEMBL23330088 0.81 CYP2D6 (0.41) OPRM1OPRK1LMNAKDM4ESLC22A1
SCHEMBL23329587 0.71 OPRM1 (0.73) OPRM1OPRK1OPRD1SLC22A1CYP2D6
SCHEMBL23329597 0.71 GRIN1 (0.36) OPRM1OPRK1MEN1LMNAKMT2A
Hydrochloric Acid SCHEMBL5142072 0.71 KMT2A (0.57) MEN1LMNAKMT2AKDM4ECASR
Hydrochloric Acid SCHEMBL5143647 0.71 MEN1 (0.57) MEN1LMNAKMT2AKDM4ECYP2D6
SCHEMBL18174911 0.70 GRIN1 (0.47) OPRM1OPRK1MEN1LMNAKMT2A
SCHEMBL7003941 0.69 OPRM1 (0.44) OPRM1OPRK1OPRD1LMNASLC22A1

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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