SCHEMBL1444174

SCHEMBL1444174

COc1ccc(CN2CCO[C@H]([C@@H](OC(C)=O)C(=O)Nc3ccc(C#N)c(CN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c3)C2=O)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F9 P00740 2/20 0.38
DRD2 P14416 3/20 0.36
MAPT P10636 5/20 0.35
MEN1 O00255 4/20 0.35
ALDH1A1 P00352 4/20 0.35
KMT2A Q03164 4/20 0.35
HPGD P15428 3/20 0.35
HSD17B10 Q99714 3/20 0.35
USP2 O75604 1/20 0.35
ALOX15 P16050 1/20 0.35
TNKS O95271 1/20 0.35
TNKS2 Q9H2K2 1/20 0.35
NPSR1 Q6W5P4 2/20 0.34
RXFP1 Q9HBX9 2/20 0.34
XDH P47989 1/20 0.34
AR P10275 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ADRA1A P35348 1/20 0.32
HIF1A Q16665 1/20 0.32
EPAS1 Q99814 1/20 0.32

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
SCHEMBL1444178 1.00 F9 (0.38) F9DRD2MAPTMEN1ALDH1A1
SCHEMBL12812978 0.91 F9 (0.47) F9DRD2MAPTMEN1ALDH1A1
SCHEMBL12548187 0.90 F9 (0.38) F9DRD2MAPTMEN1ALDH1A1
SCHEMBL1948267 0.81 F9 (0.36) F9MAPTMEN1ALDH1A1KMT2A
SCHEMBL1948972 0.80 F9 (0.36) F9AR
SCHEMBL1948974 0.80 F9 (0.36) F9AR
SCHEMBL15103414 0.80 F9 (0.42) F9HPGDAR
SCHEMBL1949447 0.80 MAPT (0.37) F9MAPTMEN1ALDH1A1KMT2A
SCHEMBL15103418 0.80 F9 (0.35) F9
SCHEMBL1949446 0.80 MAPT (0.37) F9MAPTMEN1ALDH1A1KMT2A

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 7 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
EP-2473491-B1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS MOCHIDA PHARM CO LTD (JP) 2013-07-17 EP disclosed
EP-2473491-B1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS MOCHIDA PHARM CO LTD (JP) 2013-07-17 EP disclosed
EP-2473491-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS Mochida Pharmaceutical Co., Ltd. (JP) 2012-07-11 EP disclosed
US-20110135650-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS MERCK SHARP & DOHME LLC 2011-06-09 US disclosed
WO-2011025565-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2011-03-03 WO disclosed
WO-2011025565-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2011-03-03 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 (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 2/4885DRD2 4867/4885MAPT 3534/4885

“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.