SCHEMBL911693

SCHEMBL911693

CN1C2CCCC1CC(Oc1cccc(Br)c1)C2

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 4/20 0.59
SLC6A3 Q01959 4/20 0.59
SLC6A4 P31645 3/20 0.57
OPRK1 P41145 2/20 0.55
HTR3E A5X5Y0 1/20 0.45
HTR3B O95264 1/20 0.45
CHRM4 P08173 1/20 0.45
CHRM5 P08912 1/20 0.45
CHRNB2 P17787 1/20 0.45
CHRNB4 P30926 1/20 0.45
CHRNA3 P32297 1/20 0.45
HRH1 P35367 1/20 0.45
CHRNA7 P36544 1/20 0.45
CHRNA4 P43681 1/20 0.45
HTR3A P46098 1/20 0.45
TMEM97 Q5BJF2 1/20 0.45
HTR3D Q70Z44 1/20 0.45
HTR3C Q8WXA8 1/20 0.45
SIGMAR1 Q99720 1/20 0.45
OPRM1 P35372 1/20 0.43

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
SCHEMBL911692 1.00 SLC6A2 (0.59) SLC6A2SLC6A3SLC6A4OPRK1HTR3E
Trifluoroacetic Acid SCHEMBL911501 0.88 OPRK1 (0.54) SLC6A2SLC6A3SLC6A4OPRK1HTR3E
Trifluoroacetic Acid SCHEMBL911502 0.88 OPRK1 (0.54) SLC6A2SLC6A3SLC6A4OPRK1HTR3E
SCHEMBL911194 0.82 SLC6A2 (0.87) SLC6A2SLC6A3SLC6A4OPRK1HTR3E
SCHEMBL911193 0.82 SLC6A2 (0.87) SLC6A2SLC6A3SLC6A4OPRK1HTR3E
SCHEMBL911454 0.81 OPRK1 (0.59) SLC6A2SLC6A3SLC6A4OPRK1OPRM1
SCHEMBL911455 0.81 OPRK1 (0.59) SLC6A2SLC6A3SLC6A4OPRK1OPRM1
SCHEMBL1438129 0.80 SLC6A4 (0.63) SLC6A2SLC6A3SLC6A4HRH1
SCHEMBL29735165 0.80 SLC6A4 (0.63) SLC6A2SLC6A3SLC6A4HRH1
SCHEMBL1177813 0.78 SLC6A2 (0.56) SLC6A2SLC6A3SLC6A4OPRK1

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 1059/4885SLC6A3 339/4885SLC6A4 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.