SCHEMBL16466966

SCHEMBL16466966

COc1ccc(CN2CCOC(O)C2=O)cc1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.49
▸ GRM2 Q14416 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ DRD4 P21917 5/20 0.47
▸ MMP1 P03956 1/20 0.45
▸ MMP13 P45452 1/20 0.45
▸ CMA1 P23946 1/20 0.45
▸ SIRT2 Q8IXJ6 1/20 0.44
▸ SIRT1 Q96EB6 1/20 0.44
▸ DRD2 P14416 1/20 0.44
▸ DRD3 P35462 1/20 0.44
▸ MAPK1 P28482 1/20 0.43
▸ GSK3A P49840 1/20 0.43
▸ GSK3B P49841 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ SIGMAR1 Q99720 1/20 0.42

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
SCHEMBL16467091 0.85 F9 (0.48) SMN1; SMN2
SCHEMBL16467120 0.83 ERCC1 (0.44) GRM2DRD4
SCHEMBL4719277 0.82 DRD4 (0.46) GAAGRM2SMN1; SMN2DRD4SIRT2
SCHEMBL12208454 0.81 TACR1 (0.51) GAADRD4L3MBTL1
SCHEMBL28120391 0.81 TACR1 (0.51) GAADRD4L3MBTL1
SCHEMBL1949683 0.79 F9 (0.50) GAAGRM2SMN1; SMN2DRD4MMP1
SCHEMBL17238268 0.79 F9 (0.50) GAAGRM2SMN1; SMN2DRD4MMP1
SCHEMBL17238270 0.79 F9 (0.50) GAAGRM2SMN1; SMN2DRD4MMP1
SCHEMBL1949681 0.79 F9 (0.50) GAAGRM2SMN1; SMN2DRD4MMP1
SCHEMBL14935178 0.79 GRM2 (0.46) GAAGRM2SMN1; SMN2DRD4MMP1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2837624-B1 4-SUBSTITUENT-2-HYDROXYLMORPHOLINE-3-ONE AND PREPARATION METHOD THEREOF ZHEJIANG HISUN PHARM CO LTD (CN) 2018-06-27 — — EP disclosed
US-9676736-B2 4-substituent-2-hydroxylmorpholine-3-one and preparation method thereof ZHEJIANG HISUN PHARMACEUTICAL CO., LTD. (CN) 2017-06-13 — — US disclosed
US-20150087828-A1 4-SUBSTITUENT-2-HYDROXYLMORPHOLINE-3-ONE AND PREPARATION METHOD THEREOF ZHEJIANG HISUN PHARMACEUTICAL CO., LTD. (CN) 2015-03-26 — — US disclosed
EP-2837624-A1 4-SUBSTITUENT-2-HYDROXYLMORPHOLINE-3-ONE AND PREPARATION METHOD THEREOF Zhejiang Hisun Pharmaceutical Co. Ltd. (CN) 2015-02-18 — — EP 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-20150087828-A1 4-SUBSTITUENT-2-HYDROXYLMORPHOLINE-3-ONE AND PREPARATION METHOD THEREOF OPRK1, HTR3C, HTR3A GAA 4089/4885GRM2 273/4885SMN1; SMN2 910/4885

“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.

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