SCHEMBL1945949

SCHEMBL1945949

CC(C)(C)OC(=O)N(Cc1cc(NC(=O)[C@H](CC(=O)O)[C@H]2OCCN(c3ccc4[nH]c(=O)ccc4c3)C2=O)ccc1C#N)C(=O)OC(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
F9 P00740 6/20 0.34
TRPV1 Q8NER1 1/20 0.31
F11 P03951 3/20 0.31
KLKB1 P03952 3/20 0.31
ROCK2 O75116 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
SCHEMBL15104431 1.00 F9 (0.34) F9TRPV1F11KLKB1ROCK2
SCHEMBL1438832 0.91 F9 (0.42) F9TRPV1ROCK2
SCHEMBL1444009 0.89 F9 (0.34) F9ROCK2
SCHEMBL1948645 0.88 F9 (0.34) F9F11KLKB1
SCHEMBL15104489 0.88 F9 (0.34) F9F11KLKB1
SCHEMBL1948354 0.88 F9 (0.35) F9
SCHEMBL1950267 0.88 F9 (0.42) F9TRPV1F11KLKB1
SCHEMBL1947021 0.87 F9 (0.36) F9
SCHEMBL1950257 0.87 F9 (0.39) F9
SCHEMBL1947517 0.86 F9 (0.36) F9TRPV1

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 2 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
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 2/4885TRPV1 4740/4885F11 5/4885

“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.