SCHEMBL911454

SCHEMBL911454

Brc1cccc(O[C@@H]2C[C@H]3CCC[C@@H](C2)N3CC2CC2)c1

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 15/20 0.59
KCNH2 Q12809 12/20 0.59
OPRM1 P35372 13/20 0.56
SLC6A2 P23975 2/20 0.52
SLC6A4 P31645 1/20 0.52
SLC6A3 Q01959 1/20 0.52
OPRD1 P41143 5/20 0.41
HRH3 Q9Y5N1 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
SCHEMBL911455 1.00 OPRK1 (0.59) OPRK1KCNH2OPRM1SLC6A2SLC6A4
Trifluoroacetic Acid SCHEMBL911957 0.89 OPRK1 (0.57) OPRK1KCNH2OPRM1SLC6A2SLC6A4
Trifluoroacetic Acid SCHEMBL911959 0.89 OPRK1 (0.57) OPRK1KCNH2OPRM1SLC6A2SLC6A4
SCHEMBL911693 0.81 SLC6A2 (0.59) OPRK1KCNH2OPRM1SLC6A2SLC6A4
SCHEMBL911692 0.81 SLC6A2 (0.59) OPRK1KCNH2OPRM1SLC6A2SLC6A4
SCHEMBL1438129 0.75 SLC6A4 (0.63) SLC6A2SLC6A4SLC6A3
SCHEMBL29735165 0.75 SLC6A4 (0.63) SLC6A2SLC6A4SLC6A3
SCHEMBL3632732 0.74 SLC6A2 (0.55) OPRK1KCNH2OPRM1SLC6A2SLC6A4
SCHEMBL3632729 0.74 SLC6A2 (0.55) OPRK1KCNH2OPRM1SLC6A2SLC6A4
SCHEMBL911076 0.72 SLC6A4 (0.88) SLC6A2SLC6A4SLC6A3

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7868017-B2 9-azabicyclo[3.3.1]nonane derivatives N.V. ORGANON (NL) 2011-01-11 US disclosed
US-7868017-B2 9-azabicyclo[3.3.1]nonane derivatives N.V. ORGANON (NL) 2011-01-11 US disclosed
US-7868017-B2 9-azabicyclo[3.3.1]nonane derivatives N.V. ORGANON (NL) 2011-01-11 US disclosed
US-20070112019-A1 9-Azabicyclo[3.3.1]nonane derivatives N.V. ORGANON (NL) 2007-05-17 US disclosed
US-20070112019-A1 9-Azabicyclo[3.3.1]nonane derivatives N.V. ORGANON (NL) 2007-05-17 US disclosed
US-20070112019-A1 9-Azabicyclo[3.3.1]nonane derivatives N.V. ORGANON (NL) 2007-05-17 US disclosed
WO-2007039563-A1 9-AZABICYCLO [3 . 3 . 1] NONANE DERIVATIVES AS MONOAMINE REUPTAKE INHIBITORS N.V. ORGANON (NL) 2007-04-12 WO 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-20070112019-A1 9-Azabicyclo[3.3.1]nonane derivatives AZI2, TPMT, TET3 OPRK1 3261/4885KCNH2 1556/4885OPRM1 3168/4885

“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.