SCHEMBL3135585

SCHEMBL3135585

CN1C2CCCC1CN(c1ccc(Cl)c(F)c1)C2

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 1/20 0.37
USP14 P54578 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
RAD51 Q06609 1/20 0.36
CTSK P43235 1/20 0.36
CTSC P53634 1/20 0.36
TRPA1 O75762 1/20 0.35
F10 P00742 1/20 0.34
CHRM2 P08172 1/20 0.34
CHRM5 P08912 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRM3 P20309 1/20 0.34
NOTUM Q6P988 1/20 0.34

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
SCHEMBL3138982 0.88 CYP1A2 (0.42)
SCHEMBL3138665 0.86 NOTUM (0.46) SLC6A2SLC6A4SLC6A3CHRM1NOTUM
SCHEMBL3143109 0.81 MAPT (0.47) PDE4BNOTUM
SCHEMBL6620647 0.80 NOTUM (0.48) SLC6A2SLC6A4SLC6A3CHRM1NOTUM
SCHEMBL5832346 0.78 NOTUM (0.51) SLC6A2SLC6A4SLC6A3CHRM1NOTUM
SCHEMBL3135365 0.78 KMT2A (0.42) SLC6A2SLC6A4SLC6A3CHRM1NOTUM
SCHEMBL3138469 0.78 CHRNB2 (0.47) PDE4BRAD51F10
SCHEMBL22209952 0.75 TRPA1 (0.38) PDE4BSLC6A2SLC6A4SLC6A3RAD51
SCHEMBL31319984 0.74 RAD51 (0.40) PDE4BUSP14RAD51CHRM2CHRM5
SCHEMBL31319985 0.74 AR (0.43) PDE4BUSP14SLC6A2SLC6A4SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8071598-B2 3,9-diazabicyclo[3.3.1]nonane derivatives and their use as monoamine neurotransmitter re-uptake inhibitors NEUROSEARCH A/S (DK) 2011-12-06 US claimed
US-20100160333-A1 NOVEL 3,9-DIAZABICYCLO[3.3.1]NONANE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS ANIONA APS (DK) 2010-06-24 US claimed
US-20090036456-A1 3,9-DIAZABICYCLO[3.3.1]NONANE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS ANIONA APS (DK) 2009-02-05 US claimed
EP-1984365-A1 3,9-DIAZABICYCLO[3.3.1]NONANE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NeuroSearch A/S (DK) 2008-10-29 EP claimed
WO-2007090886-A1 3,9-DIAZABICYCLO[3.3.1]NONANE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NEUROSEARCH A/S (DK) 2007-08-16 WO claimed
US-8071598-B2 3,9-diazabicyclo[3.3.1]nonane derivatives and their use as monoamine neurotransmitter re-uptake inhibitors NEUROSEARCH A/S (DK) 2011-12-06 US disclosed
US-20100160333-A1 NOVEL 3,9-DIAZABICYCLO[3.3.1]NONANE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS ANIONA APS (DK) 2010-06-24 US disclosed
US-7700596-B2 3,9-diazabicyclo[3.3.1]nonane derivatives and their use as monoamine neurotransmitter re-uptake inhibitors NEUROSEARCH A/S (DK) 2010-04-20 US disclosed
US-20090036456-A1 3,9-DIAZABICYCLO[3.3.1]NONANE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS ANIONA APS (DK) 2009-02-05 US disclosed
EP-1984365-A1 3,9-DIAZABICYCLO[3.3.1]NONANE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NeuroSearch A/S (DK) 2008-10-29 EP disclosed
WO-2007090886-A1 3,9-DIAZABICYCLO[3.3.1]NONANE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NEUROSEARCH A/S (DK) 2007-08-16 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 (2 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-20100160333-A1 NOVEL 3,9-DIAZABICYCLO[3.3.1]NONANE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS SLC18A2, SLC6A3, SLC6A2 PDE4B 454/4885USP14 3633/4885SLC6A2 3/4885
US-20090036456-A1 3,9-DIAZABICYCLO[3.3.1]NONANE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS SLC18A2, SLC6A2, SLC18A3 PDE4B 334/4885USP14 3631/4885SLC6A2 2/4885

“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.