SCHEMBL911432

SCHEMBL911432

COc1ccccc1OC1CC2CCCC(C1)N2

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 15/20 0.58
SLC6A2 P23975 11/20 0.58
SLC6A3 Q01959 9/20 0.58
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA4 P22748 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
KCNH2 Q12809 1/20 0.40
CHRNB4 P30926 1/20 0.40
CHRNA3 P32297 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
SCHEMBL911431 1.00 SLC6A4 (0.58) SLC6A4SLC6A2SLC6A3CA12CA1
SCHEMBL29340231 0.81 CA12 (0.54) CA12CA1CA2CA4CA7
SCHEMBL911696 0.81 SLC6A4 (0.88) SLC6A4SLC6A2SLC6A3KCNH2
SCHEMBL911790 0.81 SLC6A4 (0.58) SLC6A4SLC6A2SLC6A3
SCHEMBL910969 0.81 SLC6A4 (0.88) SLC6A4SLC6A2SLC6A3KCNH2
SCHEMBL911791 0.81 SLC6A4 (0.58) SLC6A4SLC6A2SLC6A3
SCHEMBL910970 0.81 SLC6A4 (0.88) SLC6A4SLC6A2SLC6A3KCNH2
SCHEMBL911980 0.80 SLC6A4 (0.54) SLC6A4SLC6A2SLC6A3KCNH2
SCHEMBL911981 0.80 SLC6A4 (0.54) SLC6A4SLC6A2SLC6A3KCNH2
SCHEMBL911282 0.80 SLC6A4 (0.45) SLC6A4SLC6A2SLC6A3CA1CA2

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 SLC6A4 1776/4885SLC6A2 1059/4885SLC6A3 339/4885

“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.