SCHEMBL1764627

SCHEMBL1764627

CCC(CC)CN(CCCCC=O)C(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CA14 Q9ULX7 2/20 0.41
HDAC6 Q9UBN7 2/20 0.31
CTSK P43235 1/20 0.30
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
TSHR P16473 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC2 Q92769 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
SCHEMBL1764999 0.96 CA14 (0.39) CA14HDAC6CA12CA1CA2
SCHEMBL1764461 0.84 CA14 (0.47) CA14HDAC6CA12CA1CA2
SCHEMBL1764632 0.83 CA14 (0.46) CA14HDAC6CA12CA1CA2
SCHEMBL21012222 0.81 CA14 (0.47) CA14HDAC6CA12CA1TSHR
SCHEMBL13527837 0.81 TSHR (0.48) CA14HDAC6CA12CA1CA2
SCHEMBL1761148 0.81 CA14 (0.33) CA14HDAC6CA12CA1CA2
SCHEMBL21012202 0.80 CA14 (0.44) CA14HDAC6CTSKHDAC1HDAC2
SCHEMBL24458159 0.79 CA14 (0.43) CA14HDAC6CTSKCA12CA1
SCHEMBL1761184 0.79 SSTR4 (0.40) CA14HDAC6CA12CA1CA2
SCHEMBL21012226 0.78 CA14 (0.43) CA14HDAC6TSHRHDAC1HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8518966-B2 Amidoalkyl-8-azabicyclo[3.2.1]octane compounds as mu opioid receptor antagonists THERAVANCE, INC. (US) 2013-08-27 US disclosed
EP-2185553-B1 AMIDOALKYL-8-AZABICYCLO[3.2.1]OCTANE COMPOUNDS AS MU OPIOID RECEPTOR ANTAGONISTS THERAVANCE INC (US) 2012-06-27 EP disclosed
US-20110124677-A1 AMIDOALKYL-8-AZABICYCLO[3.2.1]OCTANE COMPOUNDS AS MU OPIOID RECEPTOR ANTAGONISTS THERAVANCE, INC. (US) 2011-05-26 US disclosed
US-7902221-B2 Amidoalkyl-8-azabicyclo[3.2.1]octane compounds as mu opioid receptor antagonists THERAVANCE, INC. (US) 2011-03-08 US disclosed
EP-2185553-A1 AMIDOALKYL-8-AZABICYCLO[3.2.1]OCTANE COMPOUNDS AS MU OPIOID RECEPTOR ANTAGONISTS Theravance, Inc. (US) 2010-05-19 EP disclosed
US-20090062335-A1 Amidoalkyl-8-azabicyclo[3.2.1]octane compounds as mu opioid receptor antagonists THERAVANCE, INC. 2009-03-05 US disclosed
WO-2009029252-A1 AMIDOALKYL-8-AZABICYCLO[3.2.1]OCTANE COMPOUNDS AS MU OPIOID RECEPTOR ANTAGONISTS THERAVANCE, INC. (US) 2009-03-05 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 (2 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-20110124677-A1 AMIDOALKYL-8-AZABICYCLO[3.2.1]OCTANE COMPOUNDS AS MU OPIOID RECEPTOR ANTAGONISTS OPRM1, OPRL1, OPRK1 CA14 4199/4885HDAC6 899/4885CTSK 3218/4885
US-20090062335-A1 Amidoalkyl-8-azabicyclo[3.2.1]octane compounds as mu opioid receptor antagonists OPRM1, OPRL1, OPRK1 CA14 4194/4885HDAC6 784/4885CTSK 2901/4885

“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.