SCHEMBL970050

SCHEMBL970050

CN1C2CCC1CC(Oc1ccc(C#Cc3ccccc3)cc1)C2

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.74
SLC6A3 Q01959 2/20 0.74
CHRM2 P08172 3/20 0.50
CHRM4 P08173 3/20 0.50
CHRM5 P08912 3/20 0.50
CHRM1 P11229 3/20 0.50
CHRM3 P20309 3/20 0.50
OPRK1 P41145 2/20 0.50
ADRA2A P08913 1/20 0.50
DRD2 P14416 1/20 0.50
ADRA2B P18089 1/20 0.50
ADRA2C P18825 1/20 0.50
DRD1 P21728 1/20 0.50
HRH2 P25021 1/20 0.50
ADRA1D P25100 1/20 0.50
HTR2A P28223 1/20 0.50
HTR2C P28335 1/20 0.50
SLC6A4 P31645 1/20 0.50
ADRA1A P35348 1/20 0.50
HRH1 P35367 1/20 0.50

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
Fumaric Acid SCHEMBL967708 0.90 SLC6A2 (0.60) SLC6A2SLC6A3CHRM2CHRM4CHRM5
SCHEMBL12917614 0.88 SLC6A2 (0.64) SLC6A2SLC6A3CHRM2CHRM4CHRM5
SCHEMBL1164680 0.86 SLC6A2 (1.00) SLC6A2SLC6A3CHRM2CHRM4CHRM5
SCHEMBL1164678 0.86 SLC6A2 (1.00) SLC6A2SLC6A3CHRM2CHRM4CHRM5
SCHEMBL1177828 0.82 SLC6A2 (0.64) SLC6A2SLC6A3CHRM2CHRM1CHRM3
SCHEMBL224219 0.82 SLC6A2 (0.64) SLC6A2SLC6A3CHRM2CHRM1CHRM3
SCHEMBL970240 0.81 SLC6A2 (0.52) SLC6A2SLC6A3CHRM2CHRM4CHRM5
SCHEMBL911193 0.80 SLC6A2 (0.87) SLC6A2SLC6A3CHRM2CHRM4CHRM5
SCHEMBL911194 0.80 SLC6A2 (0.87) SLC6A2SLC6A3CHRM2CHRM4CHRM5
SCHEMBL1177954 0.78 SLC6A3 (0.72) SLC6A2SLC6A3CHRM2CHRM4CHRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110015235-A1 NOVEL PHENYLETHYNYL DERIVATIVES OF 8-AZA-BICYCLO[3.2.1]OCTANE AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NEUROSEARCH A/S 2011-01-20 US claimed
EP-2240476-A1 NOVEL PHENYLETHYNYL DERIVATIVES OF 8-AZA-BICYCLO[3.2.1]OCTANE AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NeuroSearch A/S (DK) 2010-10-20 EP claimed
WO-2009098208-A1 NOVEL PHENYLETHYNYL DERIVATIVES OF 8-AZA-BICYCLO[3.2.1]OCTANE AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NEUROSEARCH A/S (DK) 2009-08-13 WO claimed
US-20110015235-A1 NOVEL PHENYLETHYNYL DERIVATIVES OF 8-AZA-BICYCLO[3.2.1]OCTANE AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NEUROSEARCH A/S 2011-01-20 US disclosed
EP-2240476-A1 NOVEL PHENYLETHYNYL DERIVATIVES OF 8-AZA-BICYCLO[3.2.1]OCTANE AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NeuroSearch A/S (DK) 2010-10-20 EP disclosed
WO-2009098208-A1 NOVEL PHENYLETHYNYL DERIVATIVES OF 8-AZA-BICYCLO[3.2.1]OCTANE AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NEUROSEARCH A/S (DK) 2009-08-13 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-20110015235-A1 NOVEL PHENYLETHYNYL DERIVATIVES OF 8-AZA-BICYCLO[3.2.1]OCTANE AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS SLC18A2, SLC18A3, SLC6A2 SLC6A2 3/4885SLC6A3 6/4885CHRM2 332/4885

“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.