SCHEMBL1945853

SCHEMBL1945853

CC(C)Oc1ccc(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 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
F9 P00740 13/20 0.60
ALDH1A1 P00352 1/20 0.36
GLA P06280 1/20 0.36
MMP1 P03956 1/20 0.35
TP53 P04637 2/20 0.34
MAPT P10636 1/20 0.34
THRB P10828 1/20 0.34
GRM4 Q14833 2/20 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 0.92 F9 (0.72) F9MMP1TP53MAPTTHRB
SCHEMBL1947610 0.92 F9 (0.72) F9MMP1TP53MAPTTHRB
SCHEMBL1947507 0.91 F9 (0.59) F9MMP1
SCHEMBL1437823 0.91 F9 (0.62) F9MMP1MAPTGRM4
SCHEMBL1438453 0.91 F9 (0.62) F9MMP1MAPTGRM4
SCHEMBL1947463 0.91 F9 (0.62) F9MMP1GRM4
SCHEMBL1947439 0.91 F9 (0.62) F9MMP1MAPTGRM4
SCHEMBL1948425 0.91 F9 (0.62) F9MMP1GRM4
SCHEMBL1947676 0.90 F9 (0.61) F9MMP1GRM4
SCHEMBL1948018 0.86 F9 (0.81) F9ALDH1A1GLAGRM4

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 2/4885ALDH1A1 2444/4885GLA 798/4885
US-20110059958-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS SERPINC1, F9, F8 F9 2/4885ALDH1A1 2444/4885GLA 798/4885

“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.