SCHEMBL7895080

SCHEMBL7895080

CC(=O)O[C@@H](C(=O)Nc1ccc(-c2noc(=O)[nH]2)cc1)[C@H]1OCCN(c2cccc(C(=O)N3CCCCC3)c2)C1=O

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
F9 P00740 7/20 0.39
RBP4 P02753 1/20 0.37
KMT2A Q03164 2/20 0.37
TSHR P16473 1/20 0.37
RARA P10276 1/20 0.36
PLA2G2A P14555 1/20 0.36
CPT1A P50416 1/20 0.36
CPT1B Q92523 1/20 0.36
MAPK1 P28482 1/20 0.35
POLB P06746 1/20 0.35
EGFR P00533 1/20 0.35
HRH1 P35367 1/20 0.35
CCR3 P51677 1/20 0.35
ALDH1A1 P00352 2/20 0.35
GAA P10253 1/20 0.35
TP53 P04637 1/20 0.34
HPGD P15428 1/20 0.34
HTT P42858 1/20 0.34
ATR Q13535 1/20 0.34

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
SCHEMBL12547214 0.98 F9 (0.39) F9RBP4KMT2ATSHRRARA
SCHEMBL12547712 0.91 F9 (0.39) F9RBP4RARAPLA2G2ACPT1A
SCHEMBL7897235 0.90 F9 (0.41) F9RARACPT1ACPT1BGAA
SCHEMBL12547336 0.90 F9 (0.39) F9RBP4RARACPT1ACPT1B
SCHEMBL7903079 0.90 RARA (0.36) F9RBP4RARAPLA2G2ACPT1A
SCHEMBL12548073 0.90 F9 (0.39) F9RBP4RARAPLA2G2ACPT1A
SCHEMBL12547621 0.90 F9 (0.40) F9RARACPT1ACPT1BPOLB
SCHEMBL12547906 0.89 HTT (0.40) F9RBP4KMT2ATSHRRARA
SCHEMBL12547002 0.89 F9 (0.40) F9RARACPT1ACPT1BMAPK1
SCHEMBL7900904 0.89 F9 (0.50) F9RBP4KMT2ATSHRRARA

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
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-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
WO-2010065717-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2010-06-10 WO 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 2/4885RBP4 3382/4885KMT2A 1610/4885
US-20110059958-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS SERPINC1, F9, F8 F9 2/4885RBP4 3382/4885KMT2A 1610/4885

“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.