SCHEMBL1948896

SCHEMBL1948896

Cc1ccc(N2CCN(C(=O)c3ccccc3)C(C(O)C(=O)Nc3ccc4c(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)nccc4c3)C2=O)cc1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F9 P00740 7/20 0.60
ADAM17 P78536 5/20 0.35
MMP2 P08253 3/20 0.35
MMP1 P03956 2/20 0.35
MMP9 P14780 1/20 0.35
C1S P09871 1/20 0.33
GRM4 Q14833 2/20 0.32
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
NR1H4 Q96RI1 2/20 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
SCHEMBL1950202 0.91 F9 (0.72) F9ADAM17MMP2MMP1MMP9
SCHEMBL1947110 0.87 F9 (0.58) F9ADAM17MMP2MMP1MMP9
SCHEMBL1947959 0.85 F9 (0.81) F9ADAM17C1SF2F10
SCHEMBL1947741 0.84 F9 (0.54) F9ADAM17MMP2MMP1MMP9
Trifluoroacetic Acid SCHEMBL1950066 0.83 F9 (0.75) F9C1SF2F10F11
SCHEMBL1947610 0.82 F9 (0.72) F9ADAM17MMP2MMP1MMP9
SCHEMBL1439756 0.82 F9 (0.72) F9ADAM17MMP2MMP1MMP9
SCHEMBL1948425 0.76 F9 (0.62) F9ADAM17MMP2MMP1MMP9
SCHEMBL1438453 0.76 F9 (0.62) F9MMP1GRM4F10
SCHEMBL1947439 0.76 F9 (0.62) F9MMP1GRM4

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 2/4885ADAM17 108/4885MMP2 100/4885
US-20110059958-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS SERPINC1, F9, F8 F9 2/4885ADAM17 108/4885MMP2 100/4885

“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.