SCHEMBL1177641

SCHEMBL1177641

CN1C2CCC1CC(Oc1ccc(F)c(Cl)c1)C2

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 4/20 0.55
SLC6A2 P23975 2/20 0.55
OPRK1 P41145 1/20 0.49
DRD3 P35462 3/20 0.47
CYP2D6 P10635 4/20 0.44
CYP1A2 P05177 3/20 0.44
TSHR P16473 3/20 0.44
HTR3E A5X5Y0 1/20 0.44
GMNN O75496 1/20 0.44
HTR3B O95264 1/20 0.44
ALOX15 P16050 1/20 0.44
MTOR P42345 1/20 0.44
HTR3A P46098 1/20 0.44
PMP22 Q01453 1/20 0.44
HTR3D Q70Z44 1/20 0.44
HTR3C Q8WXA8 1/20 0.44
HSD17B10 Q99714 1/20 0.44
CHRM1 P11229 2/20 0.43
CYP2C19 P33261 2/20 0.43
CYP2C9 P11712 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
SCHEMBL1177640 1.00 SLC6A3 (0.55) SLC6A3SLC6A2OPRK1DRD3CYP2D6
SCHEMBL1177444 0.89 SLC6A3 (0.55) SLC6A3SLC6A2OPRK1DRD3CYP2D6
SCHEMBL1177443 0.89 SLC6A3 (0.55) SLC6A3SLC6A2OPRK1DRD3CYP2D6
SCHEMBL1177689 0.87 SLC6A2 (0.59) SLC6A3SLC6A2OPRK1DRD3CYP2D6
SCHEMBL1177951 0.87 SLC6A2 (0.59) SLC6A3SLC6A2OPRK1DRD3CYP2D6
SCHEMBL1177691 0.87 SLC6A2 (0.59) SLC6A3SLC6A2OPRK1DRD3CYP2D6
SCHEMBL3975583 0.83 SLC6A3 (0.49) SLC6A3SLC6A2OPRK1DRD3CYP2D6
SCHEMBL3975578 0.83 SLC6A3 (0.49) SLC6A3SLC6A2OPRK1DRD3CYP2D6
SCHEMBL1178242 0.83 SLC6A3 (0.55) SLC6A3SLC6A2OPRK1DRD3CYP2D6
SCHEMBL1178241 0.83 SLC6A3 (0.55) SLC6A3SLC6A2OPRK1DRD3CYP2D6

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 SLC6A3 6/4885SLC6A2 3/4885OPRK1 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 SLC6A3 6/4885SLC6A2 3/4885OPRK1 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 SLC6A3 6/4885SLC6A2 3/4885OPRK1 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.