SCHEMBL748427

SCHEMBL748427

CN1C2CCC1CC(Oc1ccc(Cl)nn1)C2

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC6A3 Q01959 2/20 0.50
▸ SLC6A2 P23975 1/20 0.50
▸ DRD3 P35462 2/20 0.46
▸ CYP2D6 P10635 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ TP53 P04637 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ NFKB1 P19838 1/20 0.42
▸ THPO P40225 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ DRD2 P14416 1/20 0.42
▸ DRD4 P21917 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ CHRNB2 P17787 1/20 0.41
▸ CHRNA4 P43681 1/20 0.41

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
SCHEMBL989650 1.00 SLC6A3 (0.50) SLC6A3SLC6A2DRD3CYP2D6MEN1
SCHEMBL989948 1.00 SLC6A3 (0.50) SLC6A3SLC6A2DRD3CYP2D6MEN1
SCHEMBL989273 0.94 SLC6A3 (0.44) SLC6A3SLC6A2DRD3CYP2D6MEN1
SCHEMBL746955 0.94 SLC6A3 (0.44) SLC6A3SLC6A2DRD3CYP2D6MEN1
Fumaric Acid SCHEMBL1177616 0.89 SLC6A2 (0.44) SLC6A3SLC6A2CYP2D6CYP1A2TSHR
SCHEMBL31110184 0.78 CHRNB2 (0.40) MEN1CYP1A2MAPTKMT2ALMNA
SCHEMBL30986545 0.78 HRH3 (0.42) SLC6A3SLC6A2DRD3CYP2D6
SCHEMBL1177891 0.78 SLC6A3 (0.51) SLC6A3SLC6A2DRD3CYP2D6MEN1
SCHEMBL1177495 0.78 SLC6A3 (0.53) SLC6A3SLC6A2DRD3CYP2D6MEN1
SCHEMBL1177493 0.78 SLC6A3 (0.53) SLC6A3SLC6A2DRD3CYP2D6MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7888358-B2 Serotonine, dopamine and norendrenaline receptors; antidepressants, anxiolytic agents, eating disorders; obesity; bipolar; drug abuse; neurodegenerative diseases NEUROSEARCH A/S (DK) 2011-02-15 — — US claimed
US-20080269229-A1 Novel 8-aza-bicyclo[3.2.1]octane derivatives and their use as monoamine neurotransmitter re-uptake inhibitors PETERS DAN 2008-10-30 — — US claimed
US-20060142331-A1 Novel 8-aza-bicyclo[3.2.1]octane derivatives and their use as monoamine neurotransmitter re-uptake inhibitors DANPET AB (SE) 2006-06-29 — — US claimed
EP-2431368-B1 CNS active fused bicycloheterocycle substituted azabicyclic alkane derivatives ABBVIE BAHAMAS LTD (BS) 2014-08-27 — — EP disclosed
EP-2431368-A1 CNS active fused bicycloheterocycle substituted azabicyclic alkane derivatives Abbott Laboratories (US) 2012-03-21 — — EP disclosed
EP-2018380-B1 Cns active fused bicycloheterocycle substituted azabicyclic alkane derivatives ABBOTT LAB (US) 2011-10-19 — — EP disclosed
US-20110112139-A1 NOVEL 8-AZA-BICYCLO[3.2.1]OCTANE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS PETERS DAN 2011-05-12 — — US disclosed
US-7888358-B2 Serotonine, dopamine and norendrenaline receptors; antidepressants, anxiolytic agents, eating disorders; obesity; bipolar; drug abuse; neurodegenerative diseases NEUROSEARCH A/S (DK) 2011-02-15 — — US disclosed
US-7872017-B2 Fused bicycloheterocycle substituted azabicyclic alkane derivatives ABBOTT LABORATORIES (US) 2011-01-18 — — US disclosed
US-20100305089-A1 Fused Bicycloheterocycle Substituted Azabicyclic Alkane Derivatives ABBOTT LABORATORIES (US) 2010-12-02 — — US disclosed
US-20080269229-A1 Novel 8-aza-bicyclo[3.2.1]octane derivatives and their use as monoamine neurotransmitter re-uptake inhibitors PETERS DAN 2008-10-30 — — US disclosed
US-7407970-B2 8-aza-bicyclo[3.2.1]octane derivatives and their use as monoamine neurotransmitter re-uptake inhibitors NEUROSEARCH A/S (DK) 2008-08-05 — — US disclosed
US-20080045539-A1 FUSED BICYCLOHETEROCYCLE SUBSTITUTED AZABICYCLIC ALKANE DERIVATIVES ABBVIE INC. 2008-02-21 — — US disclosed
US-20060142331-A1 Novel 8-aza-bicyclo[3.2.1]octane derivatives and their use as monoamine neurotransmitter re-uptake inhibitors DANPET AB (SE) 2006-06-29 — — US disclosed
EP-1638965-A1 NOVEL 8-AZA-BICYCLO¬3.2.1|OCTANE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NeuroSearch A/S (DK) 2006-03-29 — — EP disclosed
WO-2004113334-A1 NOVEL 8-AZA-BICYCLO[3.2.1]OCTANE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NEUROSEARCH A/S (DK) 2004-12-29 — — 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 (5 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-20080045539-A1 FUSED BICYCLOHETEROCYCLE SUBSTITUTED AZABICYCLIC ALKANE DERIVATIVES MALT1, BMP2, ALKBH2 SLC6A3 2587/4885SLC6A2 2602/4885DRD3 3781/4885
US-20100305089-A1 Fused Bicycloheterocycle Substituted Azabicyclic Alkane Derivatives MALT1, BMP2, ALKBH2 SLC6A3 2587/4885SLC6A2 2602/4885DRD3 3781/4885
US-20080269229-A1 Novel 8-aza-bicyclo[3.2.1]octane derivatives and their use as monoamine neurotransmitter re-uptake inhibitors SLC18A2, SLC18A3, SLC6A2 SLC6A3 6/4885SLC6A2 3/4885DRD3 181/4885
US-20060142331-A1 Novel 8-aza-bicyclo[3.2.1]octane derivatives and their use as monoamine neurotransmitter re-uptake inhibitors SLC18A2, SLC18A3, SLC6A2 SLC6A3 6/4885SLC6A2 3/4885DRD3 181/4885
US-20110112139-A1 NOVEL 8-AZA-BICYCLO[3.2.1]OCTANE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS SLC18A2, SLC18A3, SLC6A2 SLC6A3 6/4885SLC6A2 3/4885DRD3 181/4885

“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.

Send feedback