SCHEMBL1950677

SCHEMBL1950677

CC(=O)OC(C(=O)Nc1ccc2[nH]c(C)cc2c1)C1OCCN(c2cccc(N3CCOCC3=O)c2)C1=O

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F9 P00740 4/20 0.39
PTGS2 P35354 1/20 0.39
MAOA P21397 4/20 0.37
MAOB P27338 4/20 0.37
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37
F10 P00742 9/20 0.36
VCP P55072 1/20 0.35

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
SCHEMBL1950675 1.00 F9 (0.39) F9PTGS2MAOAMAOBMEN1
SCHEMBL1947511 0.89 F9 (0.50) F9PTGS2MAOAMAOBMEN1
SCHEMBL1947506 0.89 F9 (0.50) F9PTGS2MAOAMAOBMEN1
SCHEMBL12546785 0.84 F9 (0.41) F9PTGS2F10
SCHEMBL1946906 0.83 F9 (0.49) F9PTGS2F10
SCHEMBL12546495 0.83 F9 (0.43) F9PTGS2F10
SCHEMBL12548582 0.82 F9 (0.42) F9PTGS2F10
SCHEMBL1949116 0.82 F9 (0.38) F9PTGS2F10
SCHEMBL1949113 0.82 F9 (0.38) F9PTGS2F10
SCHEMBL1950193 0.81 F9 (0.47) F9F10

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 4 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-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 2/4885PTGS2 2450/4885MAOA 779/4885
US-20110059958-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS SERPINC1, F9, F8 F9 2/4885PTGS2 2450/4885MAOA 779/4885

“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.