SCHEMBL8219616

SCHEMBL8219616

CC(C)C(=O)NCCc1ccc(Cl)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.65
LMNA P02545 2/20 0.65
POLB P06746 2/20 0.65
GAA P10253 2/20 0.65
CYP2D6 P10635 3/20 0.61
CYP2C19 P33261 3/20 0.61
CYP1A2 P05177 2/20 0.61
HTT P42858 1/20 0.60
HSD17B10 Q99714 1/20 0.58
CNR1 P21554 3/20 0.57
CYP2C9 P11712 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.55
MAPT P10636 2/20 0.54
TAAR1 Q96RJ0 2/20 0.54
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54
GFER P55789 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
IDO1 P14902 1/20 0.53
ALDH1A1 P00352 1/20 0.52

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
SCHEMBL1952759 0.88 LMNA (0.63) KMT2ALMNAPOLBGAACYP2D6
SCHEMBL13801231 0.87 LMNA (0.62) KMT2ALMNAPOLBGAACYP2D6
SCHEMBL26078969 0.86 KMT2A (0.57) KMT2ALMNAPOLBGAACYP2D6
SCHEMBL7897169 0.84 KMT2A (0.58) KMT2ALMNAPOLBGAACYP2D6
SCHEMBL12164125 0.84 KDM4E (0.66) KMT2AGAACYP2D6CYP2C19CYP1A2
SCHEMBL12115591 0.83 HPGD (0.59) KMT2APOLBCYP2D6CYP2C19CNR1
SCHEMBL14520644 0.83 KMT2A (0.57) KMT2ALMNAPOLBGAACYP2D6
SCHEMBL8310068 0.82 MEN1 (0.63) KMT2ALMNACYP2D6CYP2C19CYP1A2
SCHEMBL7866857 0.82 KMT2A (0.81) KMT2APOLBGAACYP2D6CYP2C19
SCHEMBL14521464 0.82 KCNH2 (0.54) KMT2ALMNAPOLBCYP2D6CYP2C19

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 10 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-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-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-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
US-20110059958-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS MERCK SHARP & DOHME LLC 2011-03-10 US disclosed
US-7511039-B2 β-sheet mimetics and use thereof as inhibitors of biologically active peptides or proteins MYRIAD GENETICS, INC. (US) 2009-03-31 US disclosed
US-20060276408-A1 Beta-sheet mimetics and use thereof as inhibitors of biologically active peptides or proteins MYRIAD GENETICS, INCORPORATED (US) 2006-12-07 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 (3 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 KMT2A 1610/4885LMNA 95/4885POLB 1979/4885
US-20060276408-A1 Beta-sheet mimetics and use thereof as inhibitors of biologically active peptides or proteins SERPINB1, SERPINE1, SERPINA2 KMT2A 4016/4885LMNA 583/4885POLB 2397/4885
US-20110059958-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS SERPINC1, F9, F8 KMT2A 1610/4885LMNA 95/4885POLB 1979/4885

“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.