SCHEMBL1949447

SCHEMBL1949447

CC(=O)OC(C(=O)Nc1ccc(C#N)c(CN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c1)C1OCCN(c2cccc(OCc3ccccc3)c2)C1=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.37
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
F9 P00740 2/20 0.36
HPGD P15428 1/20 0.35
HTT P42858 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
KMT2A Q03164 3/20 0.35
USP2 O75604 1/20 0.35
MAPK1 P28482 1/20 0.35
ESR2 Q92731 1/20 0.35
TAAR1 Q96RJ0 1/20 0.35
MEN1 O00255 2/20 0.33
GAA P10253 1/20 0.33
TSHR P16473 1/20 0.33
NAAA Q02083 1/20 0.33
UBE2M P61081 1/20 0.33
DCUN1D1 Q96GG9 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
SCHEMBL1949446 1.00 MAPT (0.37) MAPTALDH1A1KDM4ELMNANPSR1
SCHEMBL12812809 0.91 F9 (0.45) MAPTALDH1A1KDM4ELMNANPSR1
SCHEMBL1946073 0.91 F9 (0.35) MAPTALDH1A1KDM4ELMNANPSR1
SCHEMBL16588072 0.91 F9 (0.35) F9
SCHEMBL1946074 0.91 F9 (0.35) MAPTALDH1A1KDM4ELMNANPSR1
SCHEMBL12548466 0.90 F9 (0.36) MAPTALDH1A1KDM4ELMNANPSR1
SCHEMBL1948974 0.90 F9 (0.36) LMNAF9
SCHEMBL1948972 0.90 F9 (0.36) LMNAF9
SCHEMBL1947770 0.90 F9 (0.38) F9
SCHEMBL1947767 0.90 F9 (0.38) 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 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 MAPT 3534/4885ALDH1A1 2444/4885KDM4E 773/4885

“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.