SCHEMBL1028366

SCHEMBL1028366

CN1C2CCC1CC(Oc1cccc(-c3ccc(C#N)cc3)c1)C2

nearest known ligand 0.68

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 6/20 0.68
SLC6A3 Q01959 6/20 0.68
SLC6A4 P31645 4/20 0.68
OPRK1 P41145 2/20 0.55
HRH3 Q9Y5N1 4/20 0.45
CHRM2 P08172 1/20 0.43
CHRM1 P11229 1/20 0.43
CHRM3 P20309 1/20 0.43
NAAA Q02083 1/20 0.41
KCNH2 Q12809 1/20 0.40

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
SCHEMBL1028365 1.00 SLC6A2 (0.68) SLC6A2SLC6A3SLC6A4OPRK1HRH3
SCHEMBL3594577 0.86 SLC6A2 (0.63) SLC6A2SLC6A3SLC6A4OPRK1HRH3
SCHEMBL3594574 0.86 SLC6A2 (0.63) SLC6A2SLC6A3SLC6A4OPRK1HRH3
SCHEMBL3594573 0.86 SLC6A2 (0.63) SLC6A2SLC6A3SLC6A4OPRK1HRH3
Hydrochloric Acid SCHEMBL4232921 0.85 SLC6A2 (0.61) SLC6A2SLC6A3SLC6A4OPRK1HRH3
Hydrochloric Acid SCHEMBL3605902 0.85 SLC6A2 (0.61) SLC6A2SLC6A3SLC6A4OPRK1HRH3
Hydrochloric Acid SCHEMBL3605898 0.85 SLC6A2 (0.61) SLC6A2SLC6A3SLC6A4OPRK1HRH3
SCHEMBL1177828 0.83 SLC6A2 (0.64) SLC6A2SLC6A3OPRK1HRH3CHRM2
SCHEMBL224219 0.83 SLC6A2 (0.64) SLC6A2SLC6A3OPRK1HRH3CHRM2
SCHEMBL1028246 0.81 SLC6A4 (1.00) SLC6A2SLC6A3SLC6A4KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1957493-B1 8-AZABICYCLO[3.2.1]OCTANE DERIVATIVES USEFUL AS MONOAMINE REUPTAKE INHIBITORS ORGANON NV (NL) 2011-01-19 EP disclosed
US-7605170-B2 8-azabicyclo[3.2.1]octane derivatives N.V. ORGANON (NL) 2009-10-20 US disclosed
EP-1957493-A1 8-AZABICYCLO[3.2.1]OCTANE DERIVATIVES USEFUL AS MONOAMINE REUPTAKE INHIBITORS N.V. Organon (NL) 2008-08-20 EP disclosed
US-20070185156-A1 8-Azabicyclo[3.2.1]octane derivatives N.V. ORGANON (NL) 2007-08-09 US disclosed
WO-2007063071-A1 8-AZABICYCLO[3.2.1]OCTANE DERIVATIVES USEFUL AS MONOAMINE REUPTAKE INHIBITORS N.V. ORGANON (NL) 2007-06-07 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-20070185156-A1 8-Azabicyclo[3.2.1]octane derivatives SLC22A8, SLCO1B3, SLCO1B1 SLC6A2 511/4885SLC6A3 263/4885SLC6A4 903/4885

“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.