SCHEMBL4088884

SCHEMBL4088884

COc1cccc(OC2CC3CCCC(C2)N3C)n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 3/20 0.51
SLC6A3 Q01959 2/20 0.51
CHRM4 P08173 3/20 0.47
CHRM5 P08912 3/20 0.47
CHRM2 P08172 2/20 0.47
CHRM1 P11229 2/20 0.47
CHRM3 P20309 2/20 0.47
HTR3E A5X5Y0 3/20 0.45
HTR3B O95264 3/20 0.45
HTR3A P46098 3/20 0.45
HTR3D Q70Z44 3/20 0.45
HTR3C Q8WXA8 3/20 0.45
KCNH2 Q12809 3/20 0.42
OPRK1 P41145 2/20 0.42
SLC6A4 P31645 2/20 0.42
HRH1 P35367 2/20 0.42
SIGMAR1 Q99720 2/20 0.42
OPRM1 P35372 2/20 0.42
ADRA2A P08913 1/20 0.42
DRD2 P14416 1/20 0.42

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
SCHEMBL4088881 1.00 SLC6A2 (0.51) SLC6A2SLC6A3CHRM4CHRM5CHRM2
SCHEMBL1177914 0.94 SLC6A2 (0.58) SLC6A2SLC6A3CHRM4CHRM5CHRM2
SCHEMBL1177917 0.94 SLC6A2 (0.58) SLC6A2SLC6A3CHRM4CHRM5CHRM2
SCHEMBL3981050 0.87 SLC6A2 (0.47) SLC6A2SLC6A3CHRM4CHRM5CHRM2
SCHEMBL3981052 0.87 SLC6A2 (0.47) SLC6A2SLC6A3CHRM4CHRM5CHRM2
Fumaric Acid SCHEMBL1177442 0.84 HTR3E (0.50) SLC6A2SLC6A3CHRM4CHRM5CHRM2
SCHEMBL1177519 0.81 SLC6A2 (0.53) SLC6A2SLC6A3CHRM4CHRM5CHRM2
SCHEMBL1177518 0.81 SLC6A2 (0.53) SLC6A2SLC6A3CHRM4CHRM5CHRM2
SCHEMBL7332694 0.79 SLC6A2 (0.54) SLC6A2SLC6A3CHRM4CHRM5CHRM2
SCHEMBL1178226 0.79 SLC6A2 (0.54) SLC6A2SLC6A3CHRM4CHRM5CHRM2

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7524958-B2 Certain 9-aza-bicyclo[3.3.1] nonane derivatives and their use as monoamine neurotransmitter re-uptake inhibitors NEUROSEARCH A/S (DK) 2009-04-28 US claimed
US-20070232641-A1 Novel 9-Aza-Bicyclo[3.3.1]Nonane Derivatives and Their Use as Monoamine Neurotransmitter Re-Uptake Inhibitors NEUROSEARCH A/S (DK) 2007-10-04 US claimed
EP-1761527-A1 NOVEL 9-AZA-BICYCLO¬3.3.1|NONANE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NEUROSEARCH A/S (DK) 2007-03-14 EP claimed
WO-2005123728-A1 NOVEL 9-AZA-BICYCLO[3.3.1]NONANE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NEUROSEARCH A/S (DK) 2005-12-29 WO claimed
US-7524958-B2 Certain 9-aza-bicyclo[3.3.1] nonane derivatives and their use as monoamine neurotransmitter re-uptake inhibitors NEUROSEARCH A/S (DK) 2009-04-28 US disclosed
US-20070232641-A1 Novel 9-Aza-Bicyclo[3.3.1]Nonane Derivatives and Their Use as Monoamine Neurotransmitter Re-Uptake Inhibitors NEUROSEARCH A/S (DK) 2007-10-04 US disclosed
EP-1761527-A1 NOVEL 9-AZA-BICYCLO¬3.3.1|NONANE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NEUROSEARCH A/S (DK) 2007-03-14 EP disclosed
WO-2005123728-A1 NOVEL 9-AZA-BICYCLO[3.3.1]NONANE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NEUROSEARCH A/S (DK) 2005-12-29 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-20070232641-A1 Novel 9-Aza-Bicyclo[3.3.1]Nonane Derivatives and Their Use as Monoamine Neurotransmitter Re-Uptake Inhibitors SLC18A2, SLC6A2, SLC18A3 SLC6A2 2/4885SLC6A3 4/4885CHRM4 291/4885

“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.