SCHEMBL911713

SCHEMBL911713

Clc1cncc(O[C@@H]2C[C@H]3CCC[C@@H](C2)N3)c1

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 4/20 0.57
CHRNA4 P43681 4/20 0.57
SLC6A4 P31645 11/20 0.56
SLC6A2 P23975 8/20 0.56
SLC6A3 Q01959 8/20 0.56
CHRNB4 P30926 1/20 0.44
CHRNA3 P32297 1/20 0.44

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
SCHEMBL911714 1.00 CHRNB2 (0.57) CHRNB2CHRNA4SLC6A4SLC6A2SLC6A3
SCHEMBL911326 0.84 SLC6A4 (0.62) SLC6A4SLC6A2SLC6A3
SCHEMBL911347 0.84 SLC6A4 (0.62) SLC6A4SLC6A2SLC6A3
SCHEMBL911325 0.84 SLC6A4 (0.62) SLC6A4SLC6A2SLC6A3
SCHEMBL911657 0.79 SLC6A4 (0.88) SLC6A4SLC6A2SLC6A3
SCHEMBL911656 0.79 SLC6A4 (0.88) SLC6A4SLC6A2SLC6A3
SCHEMBL912012 0.79 SLC6A4 (0.88) SLC6A4SLC6A2SLC6A3
SCHEMBL7056209 0.79 CHRNB2 (0.69) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL16505505 0.78 CHRNB2 (0.63) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL911387 0.78 SLC6A4 (0.87) SLC6A4SLC6A2SLC6A3

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 CHRNB2 2700/4885CHRNA4 2587/4885SLC6A4 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.