SCHEMBL16467013

SCHEMBL16467013

N#Cc1ccccc1CN1CCOC(O)C1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIRT2 Q8IXJ6 1/20 0.47
▸ SIRT1 Q96EB6 1/20 0.47
▸ BRD4 O60885 1/20 0.43
▸ NOX4 Q9NPH5 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ CLPP Q16740 1/20 0.41
▸ COMT P21964 1/20 0.41
▸ DPP4 P27487 7/20 0.40
▸ HCRTR1 O43613 1/20 0.39
▸ HCRTR2 O43614 1/20 0.39
▸ TACR1 P25103 2/20 0.39
▸ OPRM1 P35372 1/20 0.39
▸ OPRK1 P41145 1/20 0.39
▸ C5AR1 P21730 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ PDE1A P54750 1/20 0.39
▸ PDE1B Q01064 1/20 0.39

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
SCHEMBL16467037 0.80 CYP1A2 (0.50) SIRT2SIRT1ALDH1A1LMNATSHR
SCHEMBL16466950 0.77 USP2 (0.49) BRD4ALDH1A1SMN1; SMN2
SCHEMBL16466706 0.77 SIRT2 (0.47) SIRT2SIRT1ALDH1A1NPSR1COMT
SCHEMBL28120391 0.76 TACR1 (0.51) TACR1
SCHEMBL12208454 0.76 TACR1 (0.51) TACR1
SCHEMBL16466757 0.76 SIRT2 (0.48) SIRT2SIRT1ALDH1A1DPP4LMNA
SCHEMBL16467057 0.75 ROCK2 (0.50) SIRT2SIRT1HCRTR1HCRTR2PDE1A
SCHEMBL27993464 0.75 SIRT2 (0.41) SIRT2SIRT1BRD4NOX4ALDH1A1
SCHEMBL8148990 0.73 DPP4 (0.50) DPP4OPRM1OPRK1
SCHEMBL9741470 0.71 SIRT2 (0.43) SIRT2SIRT1BRD4NOX4ALDH1A1

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 SIRT2 3548/4885SIRT1 3058/4885BRD4 1501/4885

“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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