SCHEMBL6497271

SCHEMBL6497271

CC(C)(C)OC(=O)N(CCCO)C1CCC1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA14 Q9ULX7 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
DPP4 P27487 1/20 0.33
BTK Q06187 1/20 0.32
PYGL P06737 1/20 0.32
PDE3B Q13370 2/20 0.31
PDE3A Q14432 2/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
ASGR1 P07306 1/20 0.31
CCR5 P51681 1/20 0.31
HSD11B1 P28845 1/20 0.31
NFKB1 P19838 1/20 0.31
NFKB2 Q00653 1/20 0.31
RELA Q04206 1/20 0.31
EPHX1 P07099 1/20 0.31

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
SCHEMBL6486782 0.98 CA14 (0.35) CA14TDP1HDAC1HDAC2HDAC6
SCHEMBL6485797 0.97 EPHX1 (0.35) CA14TDP1HDAC1HDAC2HDAC6
SCHEMBL4914499 0.95 CA14 (0.37) CA14TDP1HDAC1HDAC2HDAC6
SCHEMBL4711748 0.90 CA14 (0.39) CA14TDP1HDAC1HDAC2HDAC6
SCHEMBL2660428 0.89 CA14 (0.34) CA14TDP1HDAC1HDAC2HDAC6
SCHEMBL1240735 0.89 CA14 (0.34) CA14TDP1HDAC1HDAC2HDAC6
SCHEMBL10323856 0.89 CA14 (0.34) CA14DPP4BTKASGR1HSD11B1
SCHEMBL1920876 0.88 SLC6A4 (0.34) CA14TDP1HDAC1HDAC2HDAC6
SCHEMBL1067463 0.87 EPHX1 (0.36) CA14DPP4PYGLL3MBTL1HSD11B1
SCHEMBL20408347 0.86 CA14 (0.44) CA14TDP1PYGLPDE3BPDE3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080262046-A1 Amidopropoxyphenyl Orexin Receptor Antagonists MERCK SHARP & DOHME CORP. 2008-10-23 US disclosed
WO-2006110626-A1 AMIDOPROPOXYPHENYL OREXIN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2006-10-19 WO disclosed
US-6903107-B1 Serine protease inhibitor AKZO NOBEL N.V. (NL) 2005-06-07 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 (1 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-20080262046-A1 Amidopropoxyphenyl Orexin Receptor Antagonists HCRTR2, HCRTR1, OXTR CA14 3634/4885TDP1 4697/4885HDAC1 908/4885

“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.