SCHEMBL16489772

SCHEMBL16489772

CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1C=C(c1cccc(C#N)c1OC(C)(C)C)C2

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 5/20 0.40
WDR5 P61964 2/20 0.36
JAK1 P23458 1/20 0.35
CHRM2 P08172 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35
RET P07949 1/20 0.35
PDCD1 Q15116 1/20 0.34
CD274 Q9NZQ7 1/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 1/20 0.34
HSD11B1 P28845 1/20 0.34
UCHL1 P09936 1/20 0.34
SSTR4 P31391 1/20 0.33
AR P10275 3/20 0.33
PDK4 Q16654 1/20 0.32

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
SCHEMBL12648217 0.87 GPR119 (0.38) GPR119WDR5JAK1CHRM2CHRM1
SCHEMBL12593763 0.86 PDCD1 (0.39) GPR119WDR5JAK1RETPDCD1
SCHEMBL1761233 0.86 PDCD1 (0.39) GPR119WDR5JAK1RETPDCD1
SCHEMBL1761235 0.86 PDCD1 (0.39) GPR119WDR5JAK1RETPDCD1
SCHEMBL18043583 0.79 SLC6A2 (0.41) GPR119WDR5JAK1CHRM2CHRM1
SCHEMBL12593766 0.77 SLC6A4 (0.38) RETSLC6A2SLC6A4SLC6A3
SCHEMBL1761142 0.77 SLC6A4 (0.38) RETSLC6A2SLC6A4SLC6A3
SCHEMBL16489773 0.76 WDR5 (0.40) GPR119WDR5JAK1CHRM2CHRM1
SCHEMBL3034148 0.75 SLC6A2 (0.46) GPR119CHRM2CHRM1CHRM3SLC6A2
SCHEMBL22635785 0.71 AAK1 (0.39) GPR119WDR5CHRM2CHRM1CHRM3

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 2 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-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 GPR119 341/4885WDR5 3157/4885JAK1 1269/4885

“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.