SCHEMBL1177835

SCHEMBL1177835

N#CCN1C2CCC1CC(Oc1ccc(Cl)c(Cl)c1)C2

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.46
SLC6A4 P31645 1/20 0.46
SLC6A3 Q01959 1/20 0.46
OPRK1 P41145 13/20 0.43
KCNH2 Q12809 13/20 0.43
OPRM1 P35372 9/20 0.43
HRH1 P35367 4/20 0.43
CCR3 P51677 4/20 0.43
OPRD1 P41143 3/20 0.41
DRD2 P14416 1/20 0.39
DRD4 P21917 1/20 0.39
DRD3 P35462 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
SCHEMBL1177833 1.00 SLC6A2 (0.46) SLC6A2SLC6A4SLC6A3OPRK1KCNH2
Fumaric Acid SCHEMBL1177837 0.90 KCNH2 (0.44) OPRK1KCNH2OPRM1HRH1CCR3
SCHEMBL1177821 0.81 KCNH2 (0.56) SLC6A2SLC6A4SLC6A3OPRK1KCNH2
SCHEMBL1177823 0.81 KCNH2 (0.56) SLC6A2SLC6A4SLC6A3OPRK1KCNH2
SCHEMBL1177467 0.80 SLC6A2 (0.47) SLC6A2SLC6A4SLC6A3OPRK1KCNH2
SCHEMBL1177469 0.80 SLC6A2 (0.47) SLC6A2SLC6A4SLC6A3OPRK1KCNH2
SCHEMBL1177711 0.80 SLC6A2 (0.47) SLC6A2SLC6A4SLC6A3OPRK1KCNH2
SCHEMBL1177712 0.80 SLC6A2 (0.47) SLC6A2SLC6A4SLC6A3OPRK1KCNH2
SCHEMBL2237759 0.79 KCNH2 (0.67) OPRK1KCNH2OPRM1OPRD1DRD2
SCHEMBL1177934 0.78 SLC6A2 (0.44) SLC6A2SLC6A4SLC6A3OPRK1KCNH2

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 18 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-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 claimed
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 claimed
US-7989470-B2 3,8-substituted 8-aza-bicyclo[3.2.1]octane derivatives and their use as monoamine neurotransmitter re-uptake inhibitors NEUROSEARCH A/S (DK) 2011-08-02 US 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-20100190821-A1 3,8-SUBSTITUTED 8-AZA-BICYCLO[3.2.1]OCTANE DERIVATIVES AND THEIR USE AS MONOMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NEUROSEARCH A/S (DK) 2010-07-29 US disclosed
US-7713990-B2 3,8-substituted 8-AZA-bicyclo[3.2.1]octane derivatives and their use as monomine neurotransmitter re-uptake inhibitors NEUROSEARCH A/S (DK) 2010-05-11 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-20080004252-A1 3,8-Substituted 8-Aza-Bicyclo[3.2.1]Octane Derivatives and Their Use as Monomine Neurotransmitter Re-Uptake Inhibitors NEUROSEARCH A/S (DK) 2008-01-03 US disclosed
EP-1838705-A2 3,8-SUBSTITUTED 8-AZA-BICYCLO [3.2.1] OCTANE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NEUROSEARCH A/S (DK) 2007-10-03 EP disclosed
WO-2006075004-A2 3, 8 - SUBSTITUTED 8-AZA-BICYCLO[3.2.1] OCTANE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NEUROSEARCH A/S (DK) 2006-07-20 WO 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-20100190821-A1 3,8-SUBSTITUTED 8-AZA-BICYCLO[3.2.1]OCTANE DERIVATIVES AND THEIR USE AS MONOMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS SLC18A2, SLC18A3, SLC6A2 SLC6A2 3/4885SLC6A4 10/4885SLC6A3 4/4885
US-20080269229-A1 Novel 8-aza-bicyclo[3.2.1]octane derivatives and their use as monoamine neurotransmitter re-uptake inhibitors SLC18A2, SLC18A3, SLC6A2 SLC6A2 3/4885SLC6A4 7/4885SLC6A3 6/4885
US-20080004252-A1 3,8-Substituted 8-Aza-Bicyclo[3.2.1]Octane Derivatives and Their Use as Monomine Neurotransmitter Re-Uptake Inhibitors SLC18A2, SLC18A3, SLC6A2 SLC6A2 3/4885SLC6A4 10/4885SLC6A3 4/4885
US-20060142331-A1 Novel 8-aza-bicyclo[3.2.1]octane derivatives and their use as monoamine neurotransmitter re-uptake inhibitors SLC18A2, SLC18A3, SLC6A2 SLC6A2 3/4885SLC6A4 7/4885SLC6A3 6/4885
US-20110112139-A1 NOVEL 8-AZA-BICYCLO[3.2.1]OCTANE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS SLC18A2, SLC18A3, SLC6A2 SLC6A2 3/4885SLC6A4 7/4885SLC6A3 6/4885

“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.