SCHEMBL1438801

SCHEMBL1438801

COC(C)(C)CCOc1ccccc1N1CCO[C@H]([C@@H](O)C(=O)Nc2ccc3c(c2)CNC3=N)C1=O

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
F9 P00740 11/20 0.47
POLB P06746 1/20 0.32
IRAK4 Q9NWZ3 1/20 0.32
ALDH1A1 P00352 1/20 0.31
KDR P35968 1/20 0.31
F10 P00742 4/20 0.31
GPR119 Q8TDV5 1/20 0.31

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
SCHEMBL15104449 1.00 F9 (0.47) F9POLBIRAK4ALDH1A1KDR
Hydrochloric Acid SCHEMBL1438534 0.99 F9 (0.47) F9POLBIRAK4ALDH1A1KDR
SCHEMBL1437953 0.93 F9 (0.48) F9POLBKDRF10GPR119
Hydrochloric Acid SCHEMBL1440009 0.93 F9 (0.48) F9POLBKDRGPR119
SCHEMBL15104447 0.86 POLB (0.34) F9POLBIRAK4ALDH1A1KDR
SCHEMBL1948764 0.86 F9 (0.52) F9ALDH1A1
SCHEMBL1438673 0.85 F9 (0.51) F9GPR119
SCHEMBL1948283 0.84 F9 (0.52) F9ALDH1A1GPR119
Hydrochloric Acid SCHEMBL1947593 0.84 F9 (0.51) F9ALDH1A1GPR119
SCHEMBL1946314 0.84 F9 (0.52) F9POLBALDH1A1

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 13 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 claimed
EP-2473491-B1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS MOCHIDA PHARM CO LTD (JP) 2013-07-17 EP claimed
EP-2473491-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS Mochida Pharmaceutical Co., Ltd. (JP) 2012-07-11 EP claimed
US-20110135650-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS MERCK SHARP & DOHME LLC 2011-06-09 US claimed
WO-2011025565-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2011-03-03 WO claimed
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
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
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

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 2/4885POLB 1979/4885IRAK4 3300/4885

“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.