SCHEMBL1948972

SCHEMBL1948972

CC(=O)O[C@@H](C(=O)Nc1ccc(C#N)c(CN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c1)[C@H]1OCCN(c2cccc(OC(F)(F)F)c2)C1=O

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
F9 P00740 5/20 0.36
RAF1 P04049 2/20 0.34
BRAF P15056 2/20 0.34
KCNB1 Q14721 1/20 0.32
MGLL Q99685 1/20 0.32
AR P10275 2/20 0.31
P2RY1 P47900 2/20 0.31
LMNA P02545 1/20 0.31
CCR2 P41597 1/20 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
SCHEMBL1948974 1.00 F9 (0.36) F9RAF1BRAFKCNB1MGLL
SCHEMBL12547785 0.90 F9 (0.38) F9RAF1BRAFKCNB1
SCHEMBL1947770 0.90 F9 (0.38) F9RAF1BRAF
SCHEMBL1947767 0.90 F9 (0.38) F9RAF1BRAF
SCHEMBL1949446 0.90 MAPT (0.37) F9LMNA
SCHEMBL1949447 0.90 MAPT (0.37) F9LMNA
SCHEMBL1948267 0.90 F9 (0.36) F9RAF1BRAFMGLLAR
SCHEMBL12817466 0.89 F9 (0.40) F9RAF1BRAFKCNB1P2RY1
SCHEMBL1947226 0.89 F9 (0.36) F9
SCHEMBL1947224 0.89 F9 (0.36) F9

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 3 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
EP-2473491-B1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS MOCHIDA PHARM CO LTD (JP) 2013-07-17 EP disclosed
US-20110135650-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS MERCK SHARP & DOHME LLC 2011-06-09 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 (1 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 2/4885RAF1 263/4885BRAF 527/4885

“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.