SCHEMBL1946907

SCHEMBL1946907

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F9 P00740 5/20 0.37
NAMPT P43490 1/20 0.36
MAPT P10636 5/20 0.34
TDP1 Q9NUW8 5/20 0.34
NPSR1 Q6W5P4 2/20 0.34
XBP1 P17861 1/20 0.34
GPR55 Q9Y2T6 1/20 0.34
KDM4E B2RXH2 1/20 0.33
MAPK1 P28482 1/20 0.33
TP53 P04637 1/20 0.33
MMP1 P03956 1/20 0.33
F2 P00734 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
GFER P55789 1/20 0.33
HSD17B10 Q99714 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PPID Q08752 1/20 0.33
RORC P51449 1/20 0.33
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL1946904 1.00 F9 (0.37) F9NAMPTMAPTTDP1NPSR1
SCHEMBL12569659 0.91 F9 (0.47) F9NAMPTMAPTTDP1NPSR1
SCHEMBL12546845 0.89 F9 (0.42) F9MAPTKDM4EHSD17B10ALDH1A1
SCHEMBL7902918 0.88 F9 (0.43) F9MAPTKDM4EHSD17B10ALDH1A1
SCHEMBL7895685 0.85 ALDH1A1 (0.37) F9MAPTTDP1KDM4EHSD17B10
SCHEMBL1947995 0.85 F9 (0.39) F9NAMPT
SCHEMBL1947998 0.85 F9 (0.39) F9NAMPT
SCHEMBL1947624 0.82 F9 (0.41) F9MAPTALDH1A1GAA
SCHEMBL12548464 0.82 F9 (0.36) F9
SCHEMBL1949095 0.82 F9 (0.35) F9RORC

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-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 2/4885NAMPT 1442/4885MAPT 3534/4885
US-20110059958-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS SERPINC1, F9, F8 F9 2/4885NAMPT 1442/4885MAPT 3534/4885

“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.