SCHEMBL1945581

SCHEMBL1945581

CCOC(=O)COc1cccc(N2CCOC([C@@H](O)C(=O)Nc3ccc(CN)cc3)C2=O)c1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F9 P00740 12/20 0.54
KLKB1 P03952 1/20 0.37
EPHX2 P34913 1/20 0.37
HDAC6 Q9UBN7 1/20 0.36
PPARG P37231 1/20 0.36
PPARA Q07869 1/20 0.36
MAPT P10636 1/20 0.36
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL1945578 1.00 F9 (0.54) F9KLKB1EPHX2HDAC6PPARG
Trifluoroacetic Acid SCHEMBL1947626 0.95 F9 (0.49) F9KLKB1EPHX2HDAC6
SCHEMBL12546788 0.94 F9 (0.53) F9HDAC6PPARGPPARAMAPT
SCHEMBL2500398 0.90 F9 (0.57) F9HDAC6MAPT
SCHEMBL17237650 0.90 F9 (0.57) F9HDAC6MAPT
SCHEMBL7902918 0.89 F9 (0.43) F9KLKB1EPHX2PPARGPPARA
SCHEMBL12545875 0.89 F9 (0.57) F9HDAC6MAPTNPC1RAB9A
SCHEMBL12569659 0.88 F9 (0.47) F9HDAC6MAPT
SCHEMBL1947624 0.87 F9 (0.41) F9KLKB1EPHX2MAPTMEN1
SCHEMBL6521348 0.85 F9 (0.48) F9MAPT

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-8642582-B2 Morpholinone compounds as factor IXa inhibitors MERCK SHARP & DOHME CORP. (US) 2014-02-04 US claimed
US-20110135650-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS MERCK SHARP & DOHME LLC 2011-06-09 US claimed
US-20110059958-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS MERCK SHARP & DOHME LLC 2011-03-10 US claimed
US-8987242-B2 Morpholinone compounds as factor IXA inhibitors MERCK SHARP & DOHME CORP. (US) 2015-03-24 US disclosed
US-8642582-B2 Morpholinone compounds as factor IXa inhibitors MERCK SHARP & DOHME CORP. (US) 2014-02-04 US disclosed
US-20110135650-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS MERCK SHARP & DOHME LLC 2011-06-09 US disclosed
US-20110059958-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS MERCK SHARP & DOHME LLC 2011-03-10 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-20110135650-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS SERPINC1, F9, F8 F9 2/4885KLKB1 460/4885EPHX2 811/4885
US-20110059958-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS SERPINC1, F9, F8 F9 2/4885KLKB1 460/4885EPHX2 811/4885

“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.