SCHEMBL911496

SCHEMBL911496

N#Cc1ccnc(OC2CC3CCCC(C2)N3)c1

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 8/20 0.54
SLC6A4 P31645 7/20 0.54
KCNH2 Q12809 4/20 0.54
SLC6A3 Q01959 5/20 0.53
HCRTR2 O43614 9/20 0.41
HCRTR1 O43613 8/20 0.41
MAP3K12 Q12852 1/20 0.40

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
SCHEMBL12903052 1.00 SLC6A2 (0.54) SLC6A2SLC6A4KCNH2SLC6A3HCRTR2
SCHEMBL1031489 0.82 SLC6A2 (0.62) SLC6A2SLC6A4KCNH2SLC6A3
SCHEMBL12955962 0.82 SLC6A2 (0.62) SLC6A2SLC6A4KCNH2SLC6A3
SCHEMBL24660474 0.81 HCRTR2 (0.50) HCRTR2HCRTR1
SCHEMBL29324499 0.80 LOX (0.56) HCRTR2HCRTR1MAP3K12
SCHEMBL910939 0.80 SLC6A4 (0.50) SLC6A2SLC6A4KCNH2SLC6A3
SCHEMBL910938 0.80 SLC6A4 (0.50) SLC6A2SLC6A4KCNH2SLC6A3
SCHEMBL27227366 0.79 ROCK1 (0.46) SLC6A2SLC6A4SLC6A3HCRTR2HCRTR1
SCHEMBL15649616 0.77 ROCK1 (0.50) KCNH2HCRTR2HCRTR1
SCHEMBL18069308 0.77 ROCK1 (0.50) KCNH2HCRTR2HCRTR1

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 SLC6A2 1059/4885SLC6A4 1776/4885KCNH2 1556/4885

“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.