SCHEMBL547178

SCHEMBL547178

COc1ccc2ccc(O[C@@H]3C[C@H]4CC[C@@H](C3)N4)cc2c1

nearest known ligand 0.73

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 17/20 0.73
SLC6A2 P23975 15/20 0.73
SLC6A3 Q01959 14/20 0.73
CYP1A2 P05177 1/20 0.44
CYP2A6 P11509 1/20 0.44

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
SCHEMBL547179 1.00 SLC6A4 (0.73) SLC6A4SLC6A2SLC6A3CYP1A2CYP2A6
Hydrochloric Acid SCHEMBL547170 0.98 SLC6A4 (0.71) SLC6A4SLC6A2SLC6A3CYP1A2CYP2A6
SCHEMBL547155 0.97 SLC6A4 (0.77) SLC6A4SLC6A2SLC6A3
SCHEMBL547154 0.97 SLC6A4 (0.77) SLC6A4SLC6A2SLC6A3
Hydrochloric Acid SCHEMBL547390 0.95 SLC6A4 (0.75) SLC6A4SLC6A2SLC6A3
SCHEMBL912009 0.94 SLC6A4 (0.65) SLC6A4SLC6A2SLC6A3CYP1A2CYP2A6
SCHEMBL912008 0.94 SLC6A4 (0.65) SLC6A4SLC6A2SLC6A3CYP1A2CYP2A6
SCHEMBL911774 0.91 SLC6A4 (0.68) SLC6A4SLC6A2SLC6A3
SCHEMBL911773 0.91 SLC6A4 (0.68) SLC6A4SLC6A2SLC6A3
SCHEMBL548059 0.81 SLC6A4 (0.55) SLC6A4SLC6A2SLC6A3

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8110586-B2 8-aza-bicyclo[3.2.1]octane derivatives and their use as monoamine neurotransmitter re-uptake inhibitors NEUROSEARCH A/S (DK) 2012-02-07 US claimed
US-20100267764-A1 8-Aza-Bicyclo[3.2.1]Octane Derivatives and Their Use as Monoamine Neurotransmitter Re-Uptake Inhibitors ANIONA APS (DK) 2010-10-21 US claimed
EP-1948653-A1 8-AZA-BICYCLO[3.2.1]OCTANE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NeuroSearch A/S (DK) 2008-07-30 EP claimed
WO-2007054531-A1 8-AZA-BICYCLO[3.2.1]OCTANE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NEUROSEARCH A/S (DK) 2007-05-18 WO claimed
US-8110586-B2 8-aza-bicyclo[3.2.1]octane derivatives and their use as monoamine neurotransmitter re-uptake inhibitors NEUROSEARCH A/S (DK) 2012-02-07 US disclosed
US-20100267764-A1 8-Aza-Bicyclo[3.2.1]Octane Derivatives and Their Use as Monoamine Neurotransmitter Re-Uptake Inhibitors ANIONA APS (DK) 2010-10-21 US disclosed
EP-1948653-A1 8-AZA-BICYCLO[3.2.1]OCTANE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NeuroSearch A/S (DK) 2008-07-30 EP disclosed
WO-2007054531-A1 8-AZA-BICYCLO[3.2.1]OCTANE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NEUROSEARCH A/S (DK) 2007-05-18 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 (1 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-20100267764-A1 8-Aza-Bicyclo[3.2.1]Octane Derivatives and Their Use as Monoamine Neurotransmitter Re-Uptake Inhibitors SLC18A2, SLC18A3, SLC6A2 SLC6A4 9/4885SLC6A2 3/4885SLC6A3 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.