SCHEMBL3138665

SCHEMBL3138665

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

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.46
ADRB1 P08588 1/20 0.44
DPP4 P27487 1/20 0.43
MAPT P10636 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
LMNA P02545 1/20 0.42
ALOX12 P18054 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
SLC6A2 P23975 4/20 0.41
SLC6A4 P31645 4/20 0.41
CHRM1 P11229 1/20 0.41
HIF1A Q16665 1/20 0.41
SLC6A3 Q01959 1/20 0.40
KCNH2 Q12809 1/20 0.40
MEN1 O00255 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39
SIGMAR1 Q99720 4/20 0.38

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
SCHEMBL6620647 0.93 NOTUM (0.48) NOTUMADRB1DPP4MAPTSMN1; SMN2
SCHEMBL5832346 0.91 NOTUM (0.51) NOTUMADRB1DPP4MAPTSMN1; SMN2
SCHEMBL3143109 0.88 MAPT (0.47) NOTUMMAPTSMN1; SMN2LMNAL3MBTL1
SCHEMBL3135585 0.86 PDE4B (0.37) NOTUMSLC6A2SLC6A4CHRM1SLC6A3
SCHEMBL3138982 0.86 CYP1A2 (0.42) MAPTALOX12MEN1KMT2ASIGMAR1
SCHEMBL3057878 0.84 NOTUM (0.54) NOTUMADRB1DPP4MAPTSMN1; SMN2
SCHEMBL3135365 0.81 KMT2A (0.42) NOTUMADRB1SLC6A2SLC6A4CHRM1
SCHEMBL4940903 0.78 ADRB1 (0.47) NOTUMADRB1DPP4MAPTSMN1; SMN2
SCHEMBL4940899 0.78 ADRB1 (0.47) NOTUMADRB1DPP4MAPTSMN1; SMN2
SCHEMBL6619500 0.76 DPP4 (0.48) NOTUMADRB1DPP4MAPTSMN1; SMN2

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 NOTUM 1041/4885ADRB1 42/4885DPP4 1346/4885
US-20090036456-A1 3,9-DIAZABICYCLO[3.3.1]NONANE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS SLC18A2, SLC6A2, SLC18A3 NOTUM 275/4885ADRB1 77/4885DPP4 876/4885

“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.