SCHEMBL1761277

SCHEMBL1761277

CC(C)(C)OC(=O)N(CCO)CC1CCC(F)(F)CC1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SSTR4 P31391 1/20 0.38
CA14 Q9ULX7 1/20 0.37
OPRM1 P35372 4/20 0.33
OPRD1 P41143 4/20 0.33
IL1B P01584 1/20 0.30
P2RX7 Q99572 1/20 0.30
RORC P51449 1/20 0.30
ASGR1 P07306 1/20 0.30

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
SCHEMBL1094539 0.84 CA14 (0.32) CA14IL1BP2RX7RORC
SCHEMBL1845039 0.83 SSTR4 (0.38) SSTR4CA14OPRM1OPRD1
SCHEMBL27809300 0.78 OPRM1 (0.35) OPRM1OPRD1P2RX7RORC
SCHEMBL19083254 0.76 SLC6A1 (0.37) SSTR4CA14
SCHEMBL1852468 0.75 SSTR4 (0.36) SSTR4CA14
SCHEMBL1852467 0.75 SSTR4 (0.36) SSTR4CA14
SCHEMBL24738291 0.75 CA14 (0.43) SSTR4CA14ASGR1
SCHEMBL15103109 0.75 CNR2 (0.41) CA14IL1BP2RX7RORC
SCHEMBL7333606 0.74 CPN1 (0.35) SSTR4CA14
SCHEMBL503444 0.74 CA14 (0.53) SSTR4CA14ASGR1

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 9 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
US-8802698-B2 8-azabicyclo[3.2.1]octyl-2-hydroxybenzamide compounds as mu opioid receptor antagonists THERAVANCE BIOPHARMA R&D IP, LLC (US) 2014-08-12 US disclosed
US-20140080855-A1 8-AZABICYCLO[3.2.1]OCTYL-2-HYDROXYBENZAMIDE COMPOUNDS AS MU OPIOID RECEPTOR ANTAGONISTS THERAVANCE, INC. (US) 2014-03-20 US disclosed
EP-2183249-B1 8-Azabicyclo[3.2.1]octyl-2-hydroxybenzamide compounds as mu opioid receptor antagonists THERAVANCE INC (US) 2014-02-26 EP disclosed
US-8481563-B2 8-azabicyclo[3.2.1]octyl-2-hydroxybenzamide compounds as mu opioid receptor antagonists THERAVANCE, INC. (US) 2013-07-09 US disclosed
US-20110118306-A1 8-AZABICYCLO[3.2.1]OCTYL-2-HYDROXYBENZAMIDE COMPOUNDS AS MU OPIOID RECEPTOR ANTAGONISTS THERAVANCE, INC. (US) 2011-05-19 US disclosed
US-7902220-B2 8-azabicyclo[3.2.1]octyl-2-hydroxybenzamide compounds as mu opioid receptor antagonists Theravance, Inc, (US) 2011-03-08 US disclosed
US-20090062333-A1 8-azabicyclo[3.2.1]octyl-2-hydroxybenzamide compounds as mu opioid receptor antagonists THERAVANCE BIOPHARMA R&D IP, LLC 2009-03-05 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 (4 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-20110118306-A1 8-AZABICYCLO[3.2.1]OCTYL-2-HYDROXYBENZAMIDE COMPOUNDS AS MU OPIOID RECEPTOR ANTAGONISTS OPRM1, OPRD1, OPRK1 SSTR4 573/4885CA14 4555/4885OPRM1 1/4885
US-20150051243-A1 8-AZABICYCLO[3.2.1]OCTYL-2-HYDROXYBENZAMIDE COMPOUNDS AS MU OPIOID RECEPTOR ANTAGONISTS OPRM1, OPRD1, OPRK1 SSTR4 573/4885CA14 4555/4885OPRM1 1/4885
US-20140080855-A1 8-AZABICYCLO[3.2.1]OCTYL-2-HYDROXYBENZAMIDE COMPOUNDS AS MU OPIOID RECEPTOR ANTAGONISTS OPRM1, OPRD1, OPRK1 SSTR4 573/4885CA14 4555/4885OPRM1 1/4885
US-20090062333-A1 8-azabicyclo[3.2.1]octyl-2-hydroxybenzamide compounds as mu opioid receptor antagonists OPRM1, OPRD1, OPRK1 SSTR4 573/4885CA14 4555/4885OPRM1 1/4885

“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.