SCHEMBL6521794

SCHEMBL6521794

CC(C)Oc1ccc(N(CCCl)C(=O)[C@H](O)[C@@H](O)C(=O)O)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.41
POLB P06746 2/20 0.39
HTT P42858 2/20 0.39
TSPO P30536 1/20 0.38
ALDH1A1 P00352 5/20 0.38
TP53 P04637 2/20 0.38
KDM4E B2RXH2 2/20 0.38
LMNA P02545 2/20 0.38
MAPT P10636 2/20 0.38
MCL1 Q07820 1/20 0.38
HSD17B10 Q99714 1/20 0.38
THRB P10828 1/20 0.38
GHSR Q92847 1/20 0.38
MMP2 P08253 1/20 0.37
MMP9 P14780 1/20 0.37
PARP10 Q53GL7 1/20 0.37
NPSR1 Q6W5P4 2/20 0.35
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
PLIN1 O60240 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
SCHEMBL1947504 0.85 HTT (0.36) KMT2APOLBHTTTSPOALDH1A1
SCHEMBL6521363 0.82 CYP3A4 (0.38) KMT2AALDH1A1KDM4ELMNAMAPT
SCHEMBL2477346 0.82 KMT2A (0.42) KMT2AALDH1A1KDM4ELMNAMAPT
SCHEMBL6519394 0.81 SERPINE1 (0.44)
SCHEMBL6520946 0.81 POLB (0.38) KMT2APOLBHTTTSPOALDH1A1
SCHEMBL6517580 0.80 BCL2A1 (0.41) KMT2AALDH1A1KDM4ELMNAMAPT
SCHEMBL6525038 0.79 MLYCD (0.38) KMT2APOLBALDH1A1KDM4ELMNA
SCHEMBL1947508 0.79 KMT2A (0.36) KMT2APOLBHTTTSPOALDH1A1
SCHEMBL6520843 0.76 MLYCD (0.40) KMT2AALDH1A1KDM4ELMNAMAPT
SCHEMBL1949752 0.72 MT-CO2 (0.39) KMT2ALMNAMAPTGHSRMMP2

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
EP-2373634-B1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS MOCHIDA PHARM CO LTD (JP) 2015-11-11 EP disclosed
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-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 (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-20110059958-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS SERPINC1, F9, F8 KMT2A 1610/4885POLB 1979/4885HTT 1888/4885

“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.