SCHEMBL1438540

SCHEMBL1438540

O=C(c1cc(I)ccc1F)N1CCOCC1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.57
TSHR P16473 1/20 0.57
EPHX2 P34913 2/20 0.54
KDM4E B2RXH2 1/20 0.52
CNR1 P21554 3/20 0.52
MAP2K2 P36507 2/20 0.48
MAP2K1 Q02750 2/20 0.48
HTT P42858 2/20 0.47
AKR1C3 P42330 1/20 0.47
PHGDH O43175 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HSP90AA1 P07900 1/20 0.46

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
SCHEMBL4745686 0.88 MAPT (0.57) MAPTTSHREPHX2KDM4ECNR1
SCHEMBL1949587 0.86 TSHR (0.57) TSHRCNR1MAP2K2MAP2K1
SCHEMBL14602602 0.84 CNR1 (0.62) MAPTTSHREPHX2KDM4ECNR1
SCHEMBL7895681 0.82 MEN1 (0.55) MAPTTSHRKDM4ECNR1HTT
SCHEMBL256984 0.82 TSHR (0.57) MAPTTSHREPHX2KDM4ECNR1
SCHEMBL23339694 0.82 MEN1 (0.57) TSHREPHX2MAP2K2MAP2K1HSP90AA1
SCHEMBL16379735 0.82 MAPT (0.57) MAPTTSHREPHX2KDM4ECNR1
SCHEMBL1392181 0.82 MAPT (0.57) MAPTTSHREPHX2KDM4ECNR1
SCHEMBL3901376 0.81 SMN1; SMN2 (0.48) MAPTTSHRKDM4EHTTAKR1C3
SCHEMBL12548354 0.81 CNR1 (0.51) TSHRCNR1MAP2K2MAP2K1

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 17 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-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
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
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-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
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 MAPT 3534/4885TSHR 2827/4885EPHX2 811/4885
US-20110059958-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS SERPINC1, F9, F8 MAPT 3534/4885TSHR 2827/4885EPHX2 811/4885

“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.