SCHEMBL3384444

SCHEMBL3384444

CN1C2CCCC1CN(c1ccc3cc(Cl)ccc3n1)C2

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 5/20 0.59
HTR3A P46098 3/20 0.59
HRH3 Q9Y5N1 6/20 0.59
PDE10A Q9Y233 3/20 0.48
ACACB O00763 1/20 0.47
HTR3E A5X5Y0 1/20 0.41
HTR3B O95264 1/20 0.41
HTR3D Q70Z44 1/20 0.41
HTR3C Q8WXA8 1/20 0.41
HTR1A P08908 1/20 0.39

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
SCHEMBL3384612 0.84 HRH3 (0.41) HRH4HTR3AHRH3PDE10AHTR1A
SCHEMBL3382643 0.82 HRH3 (0.62) HRH3PDE10AACACB
SCHEMBL3384524 0.81 HRH3 (0.61) HRH4HTR3AHRH3PDE10AHTR3E
SCHEMBL3386080 0.80 ALDH1A1 (0.58) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL13648848 0.79 HRH3 (0.73) HRH4HTR3AHRH3PDE10A
Hydrochloric Acid SCHEMBL3972549 0.78 HRH3 (0.71) HRH4HTR3AHRH3PDE10A
SCHEMBL3384630 0.77 HRH3 (0.42) HTR3AHRH3PDE10AHTR1A
SCHEMBL3576177 0.76 DRD4 (0.50) HRH4PDE10AHTR1A
SCHEMBL3384437 0.75 HRH3 (0.51) HRH3PDE10AACACB
SCHEMBL16695094 0.75 HRH4 (0.74) HRH4HTR3AHRH3PDE10AHTR3E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1984366-B1 3, 9-DIAZABICYCLO Ý3.3. 1¨NONANE DERIVATIVES AND THEIR USE AS MONOAMINE?NEUROTRANSMITTER RE-UPTAKE INHIBITORS NEUROSEARCH AS (DK) 2010-12-15 EP claimed
US-7687517-B2 3,9-Diazabicyclo [3.3.1] nonane derivatives and their use as monoamine neurotransmitter re-uptake inhibitors NEUROSEARCH A/S (DK) 2010-03-30 US claimed
US-20080306078-A1 3,9-Diazabicyclo [3.3.1] Nonane Derivatives and Their Use as Monoamine Neurotransmitter Re-Uptake Inhibitors DANPET AB (SE) 2008-12-11 US claimed
EP-1984366-A1 3, 9-DIAZABICYCLO Ý3.3. 1¨NONANE DERIVATIVES AND THEIR USE AS MONOAMINE?NEUROTRANSMITTER RE-UPTAKE INHIBITORS NeuroSearch A/S (DK) 2008-10-29 EP claimed
WO-2007090887-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
EP-1984366-B1 3, 9-DIAZABICYCLO Ý3.3. 1¨NONANE DERIVATIVES AND THEIR USE AS MONOAMINE?NEUROTRANSMITTER RE-UPTAKE INHIBITORS NEUROSEARCH AS (DK) 2010-12-15 EP disclosed
US-7687517-B2 3,9-Diazabicyclo [3.3.1] nonane derivatives and their use as monoamine neurotransmitter re-uptake inhibitors NEUROSEARCH A/S (DK) 2010-03-30 US disclosed
US-20080306078-A1 3,9-Diazabicyclo [3.3.1] Nonane Derivatives and Their Use as Monoamine Neurotransmitter Re-Uptake Inhibitors DANPET AB (SE) 2008-12-11 US disclosed
EP-1984366-A1 3, 9-DIAZABICYCLO Ý3.3. 1¨NONANE DERIVATIVES AND THEIR USE AS MONOAMINE?NEUROTRANSMITTER RE-UPTAKE INHIBITORS NeuroSearch A/S (DK) 2008-10-29 EP disclosed
WO-2007090887-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 (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-20080306078-A1 3,9-Diazabicyclo [3.3.1] Nonane Derivatives and Their Use as Monoamine Neurotransmitter Re-Uptake Inhibitors SLC18A2, SLC6A2, SLC18A3 HRH4 446/4885HTR3A 22/4885HRH3 336/4885

“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.