SCHEMBL1947610

SCHEMBL1947610

Cc1ccc(N2CCO[C@H]([C@@H](O)C(=O)Nc3ccc4c(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)nccc4c3)C2=O)cc1

nearest known ligand 0.72

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F9 P00740 14/20 0.72
MAPT P10636 2/20 0.37
TP53 P04637 1/20 0.37
THRB P10828 1/20 0.37
GRM4 Q14833 1/20 0.36
POLB P06746 1/20 0.36
MMP1 P03956 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.33
MMP2 P08253 1/20 0.33
MMP9 P14780 1/20 0.33
ADAM17 P78536 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
SCHEMBL1439756 1.00 F9 (0.72) F9MAPTTP53THRBGRM4
SCHEMBL1947463 0.94 F9 (0.62) F9GRM4MMP1
SCHEMBL1437823 0.94 F9 (0.62) F9MAPTGRM4MMP1
SCHEMBL1948425 0.94 F9 (0.62) F9GRM4MMP1MMP2MMP9
SCHEMBL1947439 0.94 F9 (0.62) F9MAPTGRM4MMP1
SCHEMBL1438453 0.94 F9 (0.62) F9MAPTGRM4MMP1
SCHEMBL1947676 0.92 F9 (0.61) F9GRM4MMP1
SCHEMBL1945853 0.92 F9 (0.60) F9MAPTTP53THRBGRM4
SCHEMBL1947507 0.91 F9 (0.59) F9MMP1
SCHEMBL1947741 0.88 F9 (0.54) F9MAPTTP53THRBPOLB

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 2/4885MAPT 3534/4885TP53 3818/4885
US-20110059958-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS SERPINC1, F9, F8 F9 2/4885MAPT 3534/4885TP53 3818/4885

“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.