SCHEMBL1947624

SCHEMBL1947624

CCOC(=O)COc1cccc(N2CCO[C@H]([C@@H](OC(=O)C(F)(F)F)C(=O)Nc3ccc(CN)cc3)C2=O)c1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
F9 P00740 8/20 0.41
KLKB1 P03952 2/20 0.35
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 1/20 0.34
EPHX2 P34913 1/20 0.33
DPP4 P27487 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
KLK1 P06870 1/20 0.33

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
SCHEMBL7902918 0.92 F9 (0.43) F9KLKB1MEN1NPC1RAB9A
Trifluoroacetic Acid SCHEMBL1947626 0.88 F9 (0.49) F9KLKB1EPHX2
SCHEMBL1945578 0.87 F9 (0.54) F9KLKB1MEN1NPC1RAB9A
SCHEMBL1945581 0.87 F9 (0.54) F9KLKB1MEN1NPC1RAB9A
SCHEMBL12546845 0.86 F9 (0.42) F9MEN1NPC1RAB9AKMT2A
SCHEMBL1948937 0.84 F9 (0.53) F9
SCHEMBL1946904 0.82 F9 (0.37) F9ALDH1A1GAAMAPT
SCHEMBL1946907 0.82 F9 (0.37) F9ALDH1A1GAAMAPT
SCHEMBL12546788 0.82 F9 (0.53) F9MEN1NPC1RAB9AKMT2A
SCHEMBL1947728 0.78 F9 (0.38) F9KLKB1ALDH1A1

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 2/4885KLKB1 460/4885MEN1 348/4885
US-20110059958-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS SERPINC1, F9, F8 F9 2/4885KLKB1 460/4885MEN1 348/4885

“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.