SCHEMBL16489773

SCHEMBL16489773

CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1C=C(c1cccc(C(N)=O)c1O)C2

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
WDR5 P61964 2/20 0.40
CHRM2 P08172 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
PARP1 P09874 9/20 0.36
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
HSD11B1 P28845 1/20 0.35
JAK1 P23458 1/20 0.34
PREP P48147 1/20 0.33
GPR119 Q8TDV5 1/20 0.33
PDK4 Q16654 1/20 0.33

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
SCHEMBL18043583 0.80 SLC6A2 (0.41) WDR5CHRM2CHRM1CHRM3SLC6A2
SCHEMBL1631920 0.78 SLC6A2 (0.42) WDR5CHRM2CHRM1CHRM3SLC6A2
SCHEMBL1631923 0.78 SLC6A2 (0.42) WDR5CHRM2CHRM1CHRM3SLC6A2
SCHEMBL3034148 0.76 SLC6A2 (0.46) CHRM2CHRM1CHRM3SLC6A2SLC6A4
SCHEMBL16489772 0.76 GPR119 (0.40) WDR5CHRM2CHRM1CHRM3SLC6A2
SCHEMBL24223887 0.74 CHRM2 (0.42) WDR5CHRM2CHRM1CHRM3HSD11B1
SCHEMBL28730740 0.74 CHRM2 (0.42) WDR5CHRM2CHRM1CHRM3HSD11B1
SCHEMBL22471536 0.74 CHRM2 (0.42) WDR5CHRM2CHRM1CHRM3HSD11B1
SCHEMBL12593765 0.74 KCNH2 (0.47) PARP1SLC6A2SLC6A4SLC6A3
SCHEMBL1761151 0.74 KCNH2 (0.47) PARP1SLC6A2SLC6A4SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9199993-B2 8-azabicyclo[3.2.1]octyl-2-hydroxybenzamide compounds as mu opioid receptor antagonists THERAVANCE BIOPHARMA R&D IP, LLC (US) 2015-12-01 US disclosed
US-9199993-B2 8-azabicyclo[3.2.1]octyl-2-hydroxybenzamide compounds as mu opioid receptor antagonists THERAVANCE BIOPHARMA R&D IP, LLC (US) 2015-12-01 US disclosed
US-20150051243-A1 8-AZABICYCLO[3.2.1]OCTYL-2-HYDROXYBENZAMIDE COMPOUNDS AS MU OPIOID RECEPTOR ANTAGONISTS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2015-02-19 US disclosed
US-20150051243-A1 8-AZABICYCLO[3.2.1]OCTYL-2-HYDROXYBENZAMIDE COMPOUNDS AS MU OPIOID RECEPTOR ANTAGONISTS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2015-02-19 US 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-20150051243-A1 8-AZABICYCLO[3.2.1]OCTYL-2-HYDROXYBENZAMIDE COMPOUNDS AS MU OPIOID RECEPTOR ANTAGONISTS OPRM1, OPRD1, OPRK1 WDR5 3157/4885CHRM2 81/4885CHRM1 89/4885

“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.