Sugi Predict

Sugi Predict / Compounds / SCHEMBL1764632

SCHEMBL1764632

SCHEMBL1764632

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

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CA14 Q9ULX7 2/20 0.46
▸ TDP1 Q9NUW8 1/20 0.40
▸ HDAC1 Q13547 2/20 0.34
▸ HDAC2 Q92769 2/20 0.34
▸ HDAC6 Q9UBN7 1/20 0.34
▸ CYP4F2 P78329 2/20 0.33
▸ CYP4A11 Q02928 2/20 0.33
▸ SSTR4 P31391 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ CA12 O43570 1/20 0.31
▸ CA1 P00915 1/20 0.31
▸ CA2 P00918 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
SCHEMBL1764461 0.98 CA14 (0.47) CA14TDP1HDAC1HDAC2HDAC6
SCHEMBL1761184 0.88 SSTR4 (0.40) CA14TDP1HDAC1HDAC2HDAC6
SCHEMBL8627528 0.84 CA14 (0.59) CA14TDP1HDAC1HDAC2HDAC6
SCHEMBL10420506 0.84 CA14 (0.59) CA14TDP1HDAC1HDAC2HDAC6
SCHEMBL567647 0.84 CA14 (0.45) CA14TDP1HDAC1HDAC2HDAC6
SCHEMBL567649 0.84 CA14 (0.45) CA14TDP1HDAC1HDAC2HDAC6
SCHEMBL1764627 0.83 CA14 (0.41) CA14HDAC1HDAC2HDAC6CA12
SCHEMBL19772708 0.83 CA14 (0.51) CA14TDP1HDAC1HDAC2HDAC6
SCHEMBL10135562 0.82 CA14 (0.46) CA14TDP1HDAC1HDAC2HDAC6
SCHEMBL10135563 0.82 CA14 (0.46) CA14TDP1HDAC1HDAC2HDAC6

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 4199/4885TDP1 4606/4885HDAC1 705/4885
US-20090062335-A1 Amidoalkyl-8-azabicyclo[3.2.1]octane compounds as mu opioid receptor antagonists OPRM1, OPRL1, OPRK1 CA14 4194/4885TDP1 4656/4885HDAC1 557/4885

“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.