SCHEMBL1029014

SCHEMBL1029014

CC(C)(C)OC(=O)N1C2CCC1CC(Oc1cc(C#N)cc(-c3ccccc3)n1)C2

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SLC6A2 P23975 2/20 0.57
▸ SLC6A4 P31645 2/20 0.57
▸ KCNH2 Q12809 1/20 0.57
▸ GPR119 Q8TDV5 12/20 0.47
▸ CHRM2 P08172 1/20 0.40
▸ CHRM1 P11229 1/20 0.40
▸ CHRM3 P20309 1/20 0.40
▸ HTR3E A5X5Y0 1/20 0.39
▸ HTR3B O95264 1/20 0.39
▸ HTR3A P46098 1/20 0.39
▸ HTR3D Q70Z44 1/20 0.39
▸ HTR3C Q8WXA8 1/20 0.39
▸ USP30 Q70CQ3 1/20 0.38
▸ UCHL1 P09936 1/20 0.38
▸ NR1H2 P55055 1/20 0.37
▸ IRAK4 Q9NWZ3 1/20 0.37

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
SCHEMBL1029013 1.00 SLC6A2 (0.57) SLC6A2SLC6A4KCNH2GPR119CHRM2
SCHEMBL1029500 0.86 GPR119 (0.47) SLC6A2SLC6A4KCNH2GPR119CHRM2
SCHEMBL1029499 0.86 GPR119 (0.47) SLC6A2SLC6A4KCNH2GPR119CHRM2
SCHEMBL12094721 0.76 GPR119 (0.62) GPR119CHRM2CHRM1CHRM3
SCHEMBL20989475 0.76 GPR119 (0.62) GPR119CHRM2CHRM1CHRM3
SCHEMBL14873090 0.75 GPR119 (0.49) GPR119
SCHEMBL12076859 0.75 GPR119 (0.52) KCNH2GPR119CHRM2CHRM1CHRM3
SCHEMBL12094616 0.75 GPR119 (0.52) KCNH2GPR119CHRM2CHRM1CHRM3
SCHEMBL22156968 0.75 GPR119 (0.44) SLC6A2SLC6A4KCNH2GPR119CHRM2
SCHEMBL18043821 0.74 GPR119 (0.52) GPR119CHRM2CHRM1CHRM3HTR3E

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 511/4885SLC6A4 903/4885KCNH2 1159/4885

“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.

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