SCHEMBL1177939

SCHEMBL1177939

CN1C2CCC1CC(Oc1cccc(O)n1)C2

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC6A2 P23975 2/20 0.53
▸ SLC6A3 Q01959 2/20 0.53
▸ OPRK1 P41145 2/20 0.47
▸ CHRM2 P08172 3/20 0.45
▸ CHRM4 P08173 3/20 0.45
▸ CHRM5 P08912 3/20 0.45
▸ CHRM1 P11229 3/20 0.45
▸ CHRM3 P20309 3/20 0.45
▸ KCNH2 Q12809 2/20 0.44
▸ HTR3E A5X5Y0 2/20 0.43
▸ HTR3B O95264 2/20 0.43
▸ HTR3A P46098 2/20 0.43
▸ HTR3D Q70Z44 2/20 0.43
▸ HTR3C Q8WXA8 2/20 0.43
▸ CHRNA7 P36544 1/20 0.43
▸ ADRA2A P08913 1/20 0.43
▸ DRD2 P14416 1/20 0.43
▸ ADRA2B P18089 1/20 0.43
▸ ADRA2C P18825 1/20 0.43
▸ DRD1 P21728 1/20 0.43

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
SCHEMBL1177936 1.00 SLC6A2 (0.53) SLC6A2SLC6A3OPRK1CHRM2CHRM4
Fumaric Acid SCHEMBL1177412 0.90 SLC6A2 (0.47) SLC6A2SLC6A3OPRK1CHRM2CHRM4
SCHEMBL1177917 0.84 SLC6A2 (0.58) SLC6A2SLC6A3OPRK1CHRM2CHRM4
SCHEMBL7332694 0.84 SLC6A2 (0.54) SLC6A2SLC6A3OPRK1CHRM2CHRM4
SCHEMBL1177914 0.84 SLC6A2 (0.58) SLC6A2SLC6A3OPRK1CHRM2CHRM4
SCHEMBL1177495 0.82 SLC6A3 (0.53) SLC6A2SLC6A3OPRK1CHRM2CHRM4
SCHEMBL1177519 0.82 SLC6A2 (0.53) SLC6A2SLC6A3OPRK1CHRM2CHRM4
SCHEMBL1177493 0.82 SLC6A3 (0.53) SLC6A2SLC6A3OPRK1CHRM2CHRM4
SCHEMBL1177518 0.82 SLC6A2 (0.53) SLC6A2SLC6A3OPRK1CHRM2CHRM4
SCHEMBL1177655 0.81 SLC6A2 (0.51) SLC6A2SLC6A3OPRK1CHRM2CHRM4

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 12 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-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-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-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 (3 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-20080269229-A1 Novel 8-aza-bicyclo[3.2.1]octane derivatives and their use as monoamine neurotransmitter re-uptake inhibitors SLC18A2, SLC18A3, SLC6A2 SLC6A2 3/4885SLC6A3 6/4885OPRK1 167/4885
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 3/4885SLC6A3 6/4885OPRK1 167/4885
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 3/4885SLC6A3 6/4885OPRK1 167/4885

“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.

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