SCHEMBL1945942

SCHEMBL1945942

COc1ccc(CN2CCOC([C@@H](OC(C)=O)C(=O)O)C2=O)cc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
F9 P00740 1/20 0.41
MMP1 P03956 1/20 0.40
MMP13 P45452 1/20 0.40
GAA P10253 1/20 0.40
HDAC1 Q13547 1/20 0.39
GRM2 Q14416 1/20 0.39
MAPK1 P28482 1/20 0.39
DRD4 P21917 3/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
TSHR P16473 1/20 0.39
SIRT2 Q8IXJ6 1/20 0.39
SIRT1 Q96EB6 1/20 0.39
HIF1A Q16665 1/20 0.39
EPAS1 Q99814 1/20 0.39
DRD2 P14416 1/20 0.39
DRD3 P35462 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL1945941 1.00 F9 (0.41) F9MMP1MMP13GAAHDAC1
SCHEMBL1949144 1.00 F9 (0.41) F9MMP1MMP13GAAHDAC1
SCHEMBL1949141 1.00 F9 (0.41) F9MMP1MMP13GAAHDAC1
SCHEMBL12548138 0.89 ALDH1A1 (0.39) F9MMP1MMP13GAAHDAC1
SCHEMBL1949681 0.85 F9 (0.50) F9MMP1MMP13GAAHDAC1
SCHEMBL17238270 0.85 F9 (0.50) F9MMP1MMP13GAAHDAC1
SCHEMBL17238268 0.85 F9 (0.50) F9MMP1MMP13GAAHDAC1
SCHEMBL1949683 0.85 F9 (0.50) F9MMP1MMP13GAAHDAC1
SCHEMBL15819650 0.77 F9 (0.47) F9MMP1MMP13GAAHDAC1
SCHEMBL17238333 0.77 F9 (0.47) F9MMP1MMP13GAAHDAC1

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 3 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
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 2/4885MMP1 62/4885MMP13 134/4885

“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.