SCHEMBL1177951

SCHEMBL1177951

CN1[C@@H]2CC[C@H]1C[C@@H](Oc1ccc(Cl)c(Cl)c1)C2

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 4/20 0.59
SLC6A3 Q01959 4/20 0.59
SLC6A4 P31645 3/20 0.53
OPRK1 P41145 1/20 0.52
CHRM1 P11229 1/20 0.50
ERBB2 P04626 1/20 0.48
FLT1 P17948 1/20 0.48
EPHA2 P29317 1/20 0.48
KDR P35968 1/20 0.48
EPHB4 P54760 1/20 0.48
DRD3 P35462 1/20 0.47
FPR2 P25090 1/20 0.44
PROKR1 Q8TCW9 1/20 0.44
HTR3E A5X5Y0 1/20 0.43
GMNN O75496 1/20 0.43
HTR3B O95264 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
ALOX15 P16050 1/20 0.43
TSHR P16473 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
SCHEMBL1177691 1.00 SLC6A2 (0.59) SLC6A2SLC6A3SLC6A4OPRK1CHRM1
SCHEMBL1177689 1.00 SLC6A2 (0.59) SLC6A2SLC6A3SLC6A4OPRK1CHRM1
SCHEMBL911449 0.94 SLC6A2 (0.53) SLC6A2SLC6A3SLC6A4OPRK1CHRM1
SCHEMBL911447 0.94 SLC6A2 (0.53) SLC6A2SLC6A3SLC6A4OPRK1CHRM1
SCHEMBL3976538 0.94 SLC6A2 (0.53) SLC6A2SLC6A3SLC6A4OPRK1CHRM1
Fumaric Acid SCHEMBL1177615 0.88 OPRK1 (0.52) SLC6A2SLC6A3SLC6A4OPRK1HTR3E
SCHEMBL1177378 0.88 SLC6A3 (0.56) SLC6A2SLC6A3SLC6A4OPRK1DRD3
SCHEMBL1177377 0.88 SLC6A3 (0.56) SLC6A2SLC6A3SLC6A4OPRK1DRD3
SCHEMBL1177443 0.87 SLC6A3 (0.55) SLC6A2SLC6A3SLC6A4OPRK1CHRM1
SCHEMBL1177444 0.87 SLC6A3 (0.55) SLC6A2SLC6A3SLC6A4OPRK1CHRM1

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
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-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 6/4885SLC6A4 7/4885
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 6/4885SLC6A4 7/4885
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 6/4885SLC6A4 7/4885

“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.