SCHEMBL1764461

SCHEMBL1764461

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

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA14 Q9ULX7 2/20 0.47
TDP1 Q9NUW8 1/20 0.37
SSTR4 P31391 1/20 0.33
HDAC1 Q13547 2/20 0.32
HDAC2 Q92769 2/20 0.32
HDAC6 Q9UBN7 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CYP4F2 P78329 1/20 0.31
CYP4A11 Q02928 1/20 0.31
HDAC3 O15379 1/20 0.30
NCOR2 Q9Y618 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
SCHEMBL1764632 0.98 CA14 (0.46) CA14TDP1SSTR4HDAC1HDAC2
SCHEMBL1761184 0.89 SSTR4 (0.40) CA14TDP1SSTR4HDAC1HDAC2
SCHEMBL567647 0.85 CA14 (0.45) CA14TDP1SSTR4HDAC1HDAC2
SCHEMBL567649 0.85 CA14 (0.45) CA14TDP1SSTR4HDAC1HDAC2
SCHEMBL1764627 0.84 CA14 (0.41) CA14HDAC1HDAC2HDAC6CA12
SCHEMBL1764999 0.82 CA14 (0.39) CA14HDAC1HDAC2HDAC6CA12
SCHEMBL4574540 0.82 CA14 (0.53) CA14TDP1SSTR4HDAC1HDAC2
SCHEMBL8627528 0.82 CA14 (0.59) CA14TDP1SSTR4HDAC1HDAC2
SCHEMBL10420506 0.82 CA14 (0.59) CA14TDP1SSTR4HDAC1HDAC2
SCHEMBL25797677 0.82 CA14 (0.59) CA14TDP1SSTR4HDAC1HDAC2

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-8518966-B2 Amidoalkyl-8-azabicyclo[3.2.1]octane compounds as mu opioid receptor antagonists THERAVANCE, INC. (US) 2013-08-27 US 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
US-20090062335-A1 Amidoalkyl-8-azabicyclo[3.2.1]octane compounds as mu opioid receptor antagonists THERAVANCE, INC. 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 (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 4199/4885TDP1 4606/4885SSTR4 239/4885
US-20090062335-A1 Amidoalkyl-8-azabicyclo[3.2.1]octane compounds as mu opioid receptor antagonists OPRM1, OPRL1, OPRK1 CA14 4194/4885TDP1 4656/4885SSTR4 250/4885

“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.