SCHEMBL1438679

SCHEMBL1438679

O=C1COCCN1c1cccc(I)c1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 4/20 0.46
PIK3CA P42336 2/20 0.46
PIK3CG P48736 2/20 0.46
PIK3CB P42338 1/20 0.46
FAAH O00519 1/20 0.44
MGLL Q99685 1/20 0.44
F10 P00742 2/20 0.43
MAP4K1 Q92918 5/20 0.43
PTGS2 P35354 7/20 0.42
DRD2 P14416 1/20 0.40
DRD3 P35462 1/20 0.40
KCNH2 Q12809 1/20 0.40

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
SCHEMBL29740650 0.83 PIK3CD (0.49) PIK3CDPIK3CAPIK3CGPIK3CBF10
SCHEMBL20124865 0.83 PIK3CD (0.49) PIK3CDPIK3CAPIK3CGPIK3CBF10
SCHEMBL2940366 0.81 MAP4K1 (0.50) PIK3CDPIK3CAPIK3CGPIK3CBFAAH
SCHEMBL10272402 0.81 ALDH1A1 (0.52) PIK3CDPIK3CAPIK3CGPIK3CBMGLL
SCHEMBL13097259 0.81 F10 (0.49) PIK3CDPIK3CAPIK3CGPIK3CBF10
SCHEMBL20502398 0.81 ALDH1A1 (0.48) PIK3CDPIK3CAPIK3CGPIK3CBMGLL
SCHEMBL15628319 0.80 F10 (0.54) F10PTGS2
SCHEMBL28834548 0.80 F10 (0.54) F10PTGS2
SCHEMBL198132 0.80 PTGS2 (0.57) F10PTGS2
SCHEMBL793560 0.79 PIK3CD (0.47) PIK3CDPIK3CAPIK3CGPIK3CBF10

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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2770998-B1 FACTOR IXA INHIBITORS MERCK SHARP & DOHME (US) 2020-04-29 EP disclosed
EP-2373634-B1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS MOCHIDA PHARM CO LTD (JP) 2015-11-11 EP disclosed
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-8980916-B2 Factor IXa inhibitors MERCK SHARP & DOHME CORP. (US) 2015-03-17 US disclosed
US-8980916-B2 Factor IXa inhibitors MERCK SHARP & DOHME CORP. (US) 2015-03-17 US disclosed
US-20140322195-A1 Factor IXA Inhibitors MERCK SHARP & DOHME LLC 2014-10-30 US disclosed
US-20140322195-A1 Factor IXA Inhibitors MERCK SHARP & DOHME LLC 2014-10-30 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-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-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
WO-2008089005-A2 RENIN INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-07-24 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 (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-20140322195-A1 Factor IXA Inhibitors F9, F12, F11 PIK3CD 2212/4885PIK3CA 1220/4885PIK3CG 1478/4885
US-20110135650-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS SERPINC1, F9, F8 PIK3CD 3641/4885PIK3CA 2290/4885PIK3CG 2893/4885
US-20110059958-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS SERPINC1, F9, F8 PIK3CD 3641/4885PIK3CA 2290/4885PIK3CG 2893/4885

“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.