SCHEMBL2508596

SCHEMBL2508596

COc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(C/C=C/c1ccccc1)CC3

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 5/20 0.63
▸ OPRK1 P41145 5/20 0.63
▸ GRIN2D O15399 4/20 0.63
▸ GRIN3B O60391 4/20 0.63
▸ GRIN1 Q05586 4/20 0.63
▸ GRIN2A Q12879 4/20 0.63
▸ GRIN2B Q13224 4/20 0.63
▸ GRIN2C Q14957 4/20 0.63
▸ GRIN3A Q8TCU5 4/20 0.63
▸ SLC6A4 P31645 2/20 0.63
▸ SIGMAR1 Q99720 2/20 0.63
▸ CYP2D6 P10635 2/20 0.63
▸ SLC22A1 O15245 1/20 0.63
▸ ADRA2A P08913 1/20 0.63
▸ TSHR P16473 1/20 0.63
▸ ADRA2C P18825 1/20 0.63
▸ SLC6A2 P23975 1/20 0.63
▸ TACR1 P25103 1/20 0.63
▸ HTR2A P28223 1/20 0.63
▸ ADRA1A P35348 1/20 0.63

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
SCHEMBL2508598 1.00 OPRM1 (0.63) OPRM1OPRK1GRIN2DGRIN3BGRIN1
SCHEMBL1616752 0.89 OPRM1 (0.67) OPRM1OPRK1GRIN2DGRIN3BGRIN1
SCHEMBL2400114 0.88 OPRM1 (0.57) OPRM1OPRK1GRIN2DGRIN3BGRIN1
Bromide SCHEMBL1617110 0.87 CYP3A4 (0.58) OPRM1OPRK1GRIN2DGRIN3BGRIN1
SCHEMBL16887924 0.85 OPRM1 (0.73) OPRM1OPRK1GRIN2DGRIN3BGRIN1
SCHEMBL2402040 0.85 OPRM1 (0.73) OPRM1OPRK1GRIN2DGRIN3BGRIN1
Bromide SCHEMBL1616937 0.85 CYP3A4 (0.72) OPRM1OPRK1GRIN2DGRIN3BGRIN1
SCHEMBL20809260 0.85 OPRM1 (0.67) OPRM1OPRK1GRIN2DGRIN3BGRIN1
SCHEMBL2402015 0.85 OPRM1 (0.67) OPRM1OPRK1GRIN2DGRIN3BGRIN1
Bromide SCHEMBL1616477 0.84 CYP3A4 (0.68) OPRM1OPRK1GRIN2DGRIN3BGRIN1

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-20110243889-A1 OPIOID AND OPIOID-LIKE COMPOUNDS AND USES THEREOF JENKEN BIOSCIENCES, INC. 2011-10-06 — — US claimed

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-20110243889-A1 OPIOID AND OPIOID-LIKE COMPOUNDS AND USES THEREOF OPRL1, OPRK1, OPRM1 OPRM1 3/4885OPRK1 2/4885GRIN2D 835/4885

“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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