SCHEMBL1950202

SCHEMBL1950202

CC(=O)N1CCN(c2ccc(C)cc2)C(=O)C1C(O)C(=O)Nc1ccc2c(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)nccc2c1

nearest known ligand 0.72

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
F9 P00740 7/20 0.72
MMP1 P03956 2/20 0.36
ADAM17 P78536 3/20 0.34
MMP2 P08253 2/20 0.34
MMP9 P14780 1/20 0.34
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
MAPT P10636 2/20 0.31
TP53 P04637 1/20 0.31
THRB P10828 1/20 0.31
POLB P06746 1/20 0.31
NR1H4 Q96RI1 1/20 0.31
F2 P00734 1/20 0.31
F10 P00742 1/20 0.31
F11 P03951 1/20 0.31
F7 P08709 1/20 0.31
F3 P13726 1/20 0.31
GRM4 Q14833 2/20 0.31
C1S P09871 1/20 0.30

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
SCHEMBL1948896 0.91 F9 (0.60) F9MMP1ADAM17MMP2MMP9
SCHEMBL1947110 0.90 F9 (0.58) F9MMP1ADAM17MMP2MMP9
SCHEMBL1947741 0.87 F9 (0.54) F9MMP1ADAM17MMP2MMP9
SCHEMBL1439756 0.85 F9 (0.72) F9MMP1ADAM17MMP2MMP9
SCHEMBL1947610 0.85 F9 (0.72) F9MMP1ADAM17MMP2MMP9
SCHEMBL1947393 0.84 F9 (1.00) F9F2F10F11F7
Trifluoroacetic Acid SCHEMBL1947732 0.81 F9 (0.90) F9F2F10F11F7
SCHEMBL1437823 0.80 F9 (0.62) F9MMP1MAPTF7F3
SCHEMBL1947676 0.79 F9 (0.61) F9MMP1GRM4
SCHEMBL1948425 0.79 F9 (0.62) F9MMP1ADAM17MMP2MMP9

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
EP-2373634-B1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS MOCHIDA PHARM CO LTD (JP) 2015-11-11 EP disclosed
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 2/4885MMP1 62/4885ADAM17 108/4885
US-20110059958-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS SERPINC1, F9, F8 F9 2/4885MMP1 62/4885ADAM17 108/4885

“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.