SCHEMBL1177375

SCHEMBL1177375

CN1[C@@H]2CC[C@H]1C[C@H](Oc1ccc3[nH]ccc3c1)C2

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.54
SLC6A3 Q01959 1/20 0.54
OPRK1 P41145 1/20 0.48
CHRNA7 P36544 2/20 0.46
CHRNB2 P17787 1/20 0.46
CHRNB4 P30926 1/20 0.46
CHRNA3 P32297 1/20 0.46
CHRNA4 P43681 1/20 0.46
CHRNA10 Q9GZZ6 1/20 0.46
CHRNA9 Q9UGM1 1/20 0.46
LTA4H P09960 2/20 0.45
ROCK1 Q13464 3/20 0.41
ROCK2 O75116 1/20 0.41
PRKACA P17612 1/20 0.41
PRKCD Q05655 1/20 0.41
PRKG1 Q13976 1/20 0.41
PKN1 Q16512 1/20 0.41
PKN2 Q16513 1/20 0.41
AAK1 Q2M2I8 1/20 0.41
CDC42BPA Q5VT25 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
SCHEMBL1177376 1.00 SLC6A2 (0.54) SLC6A2SLC6A3OPRK1CHRNA7CHRNB2
Fumaric Acid SCHEMBL1177960 0.89 OPRK1 (0.48) SLC6A2SLC6A3OPRK1CHRNA7CHRNB2
SCHEMBL744341 0.84 CHRNA7 (0.49) SLC6A2SLC6A3CHRNA7CHRNB2CHRNB4
SCHEMBL2484828 0.84 CHRNA7 (0.49) SLC6A2SLC6A3CHRNA7CHRNB2CHRNB4
SCHEMBL2484827 0.84 CHRNA7 (0.49) SLC6A2SLC6A3CHRNA7CHRNB2CHRNB4
SCHEMBL1411455 0.83 ROCK1 (0.64) SLC6A2SLC6A3OPRK1ROCK1ROCK2
SCHEMBL13437461 0.83 ROCK1 (0.64) SLC6A2SLC6A3OPRK1ROCK1ROCK2
SCHEMBL13437467 0.83 ROCK1 (0.64) SLC6A2SLC6A3OPRK1ROCK1ROCK2
SCHEMBL744681 0.81 CHRNA7 (0.46) SLC6A2SLC6A3CHRNA7CHRNB2CHRNB4
Hydrochloric Acid SCHEMBL746349 0.80 CHRNA7 (0.45) SLC6A2SLC6A3CHRNA7CHRNB2CHRNB4

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 9 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
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 (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-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

“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.