SCHEMBL10198744

SCHEMBL10198744

CCOC(=O)N(CI)[C@H]1Cc2ccc(O)cc2[C@]2(C)CCCC[C@H]12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 5/20 0.43
▸ OPRD1 P41143 3/20 0.43
▸ OPRK1 P41145 2/20 0.43
▸ NR1H2 P55055 8/20 0.40
▸ NR1H3 Q13133 8/20 0.40
▸ HSD11B1 P28845 1/20 0.39
▸ GRIN2D O15399 3/20 0.37
▸ GRIN3B O60391 3/20 0.37
▸ GRIN1 Q05586 3/20 0.37
▸ GRIN2A Q12879 3/20 0.37
▸ GRIN2B Q13224 3/20 0.37
▸ GRIN2C Q14957 3/20 0.37
▸ GRIN3A Q8TCU5 3/20 0.37
▸ SLC22A1 O15245 2/20 0.37
▸ SLC6A4 P31645 2/20 0.37
▸ SCN1A P35498 2/20 0.37
▸ MRGPRX2 Q96LB1 2/20 0.37
▸ SCN2A Q99250 2/20 0.37
▸ SCN3A Q9NY46 2/20 0.37
▸ ADRA2A P08913 1/20 0.37

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
SCHEMBL18458897 0.92 OPRM1 (0.47) OPRM1OPRD1OPRK1NR1H2NR1H3
SCHEMBL10063825 0.89 HSD11B1 (0.42) OPRM1OPRK1HSD11B1GRIN2DGRIN3B
SCHEMBL18459389 0.83 GRIN1 (0.38) OPRM1OPRD1OPRK1NR1H2NR1H3
SCHEMBL22803241 0.77 OPRM1 (0.52) OPRM1OPRD1OPRK1GRIN2DGRIN3B
SCHEMBL10066629 0.76 OPRM1 (0.48) OPRM1OPRD1OPRK1GRIN2DGRIN3B
SCHEMBL18458898 0.76 DRD2 (0.37) OPRM1OPRD1OPRK1HSD11B1GRIN2D
SCHEMBL12028063 0.75 HTR1A (0.37) SLC6A4CYP2D6SLC6A2
SCHEMBL24224544 0.73 HSD17B1 (0.34) OPRM1OPRD1OPRK1NR1H2NR1H3
SCHEMBL15237494 0.67 ESR1 (0.37) —
SCHEMBL18890820 0.65 OPRM1 (0.65) OPRM1OPRD1OPRK1GRIN2DGRIN3B

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-20120083487-A1 COMBINATION OF MORPHINAN COMPOUNDS AND ANTIDEPRESSANT FOR THE TREATMENT OF PSEUDOBULBAR AFFECT, NEUROLGICAL DISEASES, INTRACTABLE AND CHRONIC PAIN AND BRAIN INJURY CONCERT PHARMACEUTICALS, INC. 2012-04-05 — — 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-20120083487-A1 COMBINATION OF MORPHINAN COMPOUNDS AND ANTIDEPRESSANT FOR THE TREATMENT OF PSEUDOBULBAR AFFECT, NEUROLGICAL DISEASES, INTRACTABLE AND CHRONIC PAIN AND BRAIN INJURY MAOB, SLC6A2, DBH OPRM1 8/4885OPRD1 7/4885OPRK1 9/4885

“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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