SCHEMBL4289433

SCHEMBL4289433

CC(C)(C)OC(=O)N(CC=O)CCCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 5/20 0.44
HDAC3 O15379 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
NCOR2 Q9Y618 1/20 0.42
SIGMAR1 Q99720 3/20 0.41
ALOX5 P09917 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
POLB P06746 1/20 0.40
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
HTT P42858 1/20 0.40
CHRM2 P08172 1/20 0.40
HTR1A P08908 1/20 0.40
ADRA2A P08913 1/20 0.40
CHRM1 P11229 1/20 0.40
DRD1 P21728 1/20 0.40

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
SCHEMBL1846485 0.93 MEN1 (0.44) L3MBTL1HDAC3HDAC1HDAC2NCOR2
SCHEMBL2722481 0.85 HDAC3 (0.53) L3MBTL1HDAC3HDAC1HDAC2NCOR2
SCHEMBL6400630 0.85 L3MBTL1 (0.47) L3MBTL1HDAC3HDAC1HDAC2NCOR2
SCHEMBL7983925 0.83 L3MBTL1 (0.46) L3MBTL1HDAC3HDAC1HDAC2NCOR2
SCHEMBL1844315 0.83 L3MBTL1 (0.46) L3MBTL1HDAC3HDAC1HDAC2NCOR2
SCHEMBL7835952 0.83 LTB4R (0.52) L3MBTL1ALOX5
SCHEMBL9536343 0.82 L3MBTL1 (0.45) L3MBTL1HDAC3HDAC1HDAC2NCOR2
SCHEMBL7983626 0.82 L3MBTL1 (0.48) L3MBTL1HDAC3HDAC1HDAC2NCOR2
SCHEMBL7971622 0.82 MC5R (0.46) L3MBTL1HDAC3HDAC1HDAC2NCOR2
SCHEMBL25047455 0.81 MEN1 (0.43) L3MBTL1HDAC3HDAC1HDAC2NCOR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230183232-A1 8-AZABICYCLO[3.2.1]OCTANE COMPOUNDS AS MU OPIOID RECEPTOR ANTAGONISTS THERAVANCE BIOPHARMA R&D IP LLC (US) 2023-06-15 US disclosed
US-11548887-B2 8-azabicyclo[3.2.1]octane compounds as mu opioid receptor antagonists THERAVANCE BIOPHARMA R&D IP, LLC (US) 2023-01-10 US disclosed
US-20090239839-A1 RECEPTOR ANTAGONIST TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-09-24 US disclosed
US-20070129348-A1 Receptor antagonist TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-06-07 US disclosed
EP-1623710-A1 RECEPTOR ANTAGONIST Takeda Pharmaceutical Company Limited (JP) 2006-02-08 EP 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-20090239839-A1 RECEPTOR ANTAGONIST FSHR, NR0B2, NR4A3 L3MBTL1 4377/4885HDAC3 427/4885HDAC1 841/4885
US-20070129348-A1 Receptor antagonist FSHR, NR0B2, NR4A3 L3MBTL1 4377/4885HDAC3 427/4885HDAC1 841/4885
US-20230183232-A1 8-AZABICYCLO[3.2.1]OCTANE COMPOUNDS AS MU OPIOID RECEPTOR ANTAGONISTS OPRM1, OPRD1, OPRK1 L3MBTL1 2375/4885HDAC3 451/4885HDAC1 295/4885
US-11548887-B2 8-azabicyclo[3.2.1]octane compounds as mu opioid receptor antagonists OPRM1, OPRD1, OPRK1 L3MBTL1 2375/4885HDAC3 451/4885HDAC1 295/4885

“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.