SCHEMBL1946989

SCHEMBL1946989

O=C(O)C[C@@H](C(=O)Nc1ccc(-c2nc(=O)o[nH]2)cc1)[C@H]1OCCN(c2ccc3[nH]c(=O)ccc3c2)C1=O

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
F9 P00740 8/20 0.36
MAPK14 Q16539 2/20 0.33
TRPV1 Q8NER1 3/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
TP53 P04637 1/20 0.31
HTR1A P08908 1/20 0.30
SLC6A2 P23975 1/20 0.30
SLC6A3 Q01959 1/20 0.30
KDM4E B2RXH2 1/20 0.30
NPC1 O15118 1/20 0.30
ALDH1A1 P00352 1/20 0.30
POLB P06746 1/20 0.30
HPGD P15428 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL1947802 0.90 F9 (0.39) F9MAPK14TRPV1MEN1KMT2A
Ammonia Solution, Strong SCHEMBL1949006 0.88 F9 (0.46) F9MAPK14MEN1KMT2ATP53
SCHEMBL1950224 0.85 F9 (0.41) F9TRPV1
SCHEMBL15103450 0.85 F9 (0.37) F9MAPK14MEN1KMT2ATP53
SCHEMBL1949008 0.80 MAPK14 (0.32) MAPK14TRPV1MEN1KMT2ATP53
Ammonia Solution, Strong SCHEMBL1445030 0.78 F9 (0.48) F9MAPK14TRPV1MEN1KMT2A
SCHEMBL1947088 0.77 F9 (0.38) F9MAPK14TRPV1
SCHEMBL15103680 0.75 F9 (0.39) F9MAPK14TRPV1
SCHEMBL15104431 0.74 F9 (0.34) F9TRPV1
SCHEMBL1945949 0.74 F9 (0.34) 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 2/4885MAPK14 2257/4885TRPV1 4740/4885

“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.