SCHEMBL911503

SCHEMBL911503

CN1C2CCCC1(OC(=O)C(F)(F)F)CC(Oc1cccc(Br)c1)C2

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 4/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.37
KCNH2 Q12809 4/20 0.36
OPRM1 P35372 1/20 0.36
KDM4E B2RXH2 5/20 0.34
LNPEP Q9UIQ6 1/20 0.34
ABHD6 Q9BV23 3/20 0.33
MGLL Q99685 2/20 0.33
FAAH O00519 1/20 0.33
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
KMT2A Q03164 1/20 0.33
HRH3 Q9Y5N1 5/20 0.33

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
SCHEMBL911960 0.86 OPRK1 (0.39) OPRK1SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL15476932 0.77 EPHX2 (0.33) OPRK1SLC6A2SLC6A3
SCHEMBL16291954 0.77 EPHX2 (0.33) OPRK1SLC6A2SLC6A3
Trifluoroacetic Acid SCHEMBL911502 0.75 OPRK1 (0.54) OPRK1SLC6A2SLC6A4SLC6A3KCNH2
Trifluoroacetic Acid SCHEMBL911501 0.75 OPRK1 (0.54) OPRK1SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL1177517 0.71 SLC6A4 (0.44) OPRK1SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL748482 0.69 KCNH2 (0.40) SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL911693 0.69 SLC6A2 (0.59) OPRK1SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL911692 0.69 SLC6A2 (0.59) OPRK1SLC6A2SLC6A4SLC6A3KCNH2
Trifluoroacetic Acid SCHEMBL911957 0.68 OPRK1 (0.57) OPRK1SLC6A2SLC6A4SLC6A3KCNH2

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 4 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
EP-1934212-A1 9-AZABICYCLO [3 . 3 . 1]NONANE DERIVATIVES AS MONOAMINE REUPTAKE INHIBITORS N.V. Organon (NL) 2008-06-25 EP 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 3261/4885SLC6A2 1059/4885SLC6A4 1776/4885

“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.