SCHEMBL1026428

SCHEMBL1026428

O=C1C=CC(=O)N1[C@H]1CCC[C@@H]1OCCc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 4/20 0.42
SCN5A Q14524 4/20 0.42
OPRM1 P35372 3/20 0.42
GSK3A P49840 4/20 0.41
GSK3B P49841 4/20 0.41
MGLL Q99685 3/20 0.41
OPRK1 P41145 2/20 0.40
OPRD1 P41143 1/20 0.40
FAAH O00519 1/20 0.38
SLC18A2 Q05940 1/20 0.37
PSEN1 P49768 1/20 0.36
PSEN2 P49810 1/20 0.36
APH1B Q8WW43 1/20 0.36
NCSTN Q92542 1/20 0.36
APH1A Q96BI3 1/20 0.36
PSENEN Q9NZ42 1/20 0.36

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
SCHEMBL1028267 0.86 PSEN1 (0.47) KCNA5GSK3AGSK3BMGLLPSEN1
SCHEMBL1027406 0.86 PSEN1 (0.47) KCNA5GSK3AGSK3BMGLLPSEN1
SCHEMBL18596785 0.84 OPRM1 (0.46) KCNA5SCN5AOPRM1OPRK1OPRD1
SCHEMBL18596760 0.84 OPRM1 (0.46) KCNA5SCN5AOPRM1OPRK1OPRD1
SCHEMBL18596833 0.84 OPRM1 (0.46) KCNA5SCN5AOPRM1OPRK1OPRD1
SCHEMBL18596761 0.84 OPRM1 (0.46) KCNA5SCN5AOPRM1OPRK1OPRD1
SCHEMBL1024747 0.79 SLC18A3 (0.44) GSK3AGSK3BMGLLFAAH
SCHEMBL1030607 0.79 CHRM2 (0.46)
SCHEMBL13303650 0.78 OPRM1 (0.43) KCNA5SCN5AOPRM1OPRK1OPRD1
SCHEMBL13303663 0.78 OPRM1 (0.43) KCNA5SCN5AOPRM1OPRK1OPRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1479669-B1 Optically active maleimide derivatives and polymaleimides for use as chiral adsorbent in chromatography TOSOH CORP (JP) 2011-01-19 EP disclosed
US-7645889-B2 Optically active polymaleimide derivatives and process for their production TOSOH CORPORATION (JP) 2010-01-12 US disclosed
US-20080230482-A1 Optically active polymaleimide derivatives and process for their production TOSOH CORPORATION (JP) 2008-09-25 US disclosed
US-7381742-B2 Optically active polymaleimide derivatives and process for their production TOSOH CORPORATION (JP) 2008-06-03 US disclosed
US-20070131616-A1 Optically active maleimide derivatives, optically active polymaleimide derivatives, process for their production, separating media comprising the optically active polymaleimide derivatives and method of separating optically active compounds using them TOSOH CORPORATION (JP) 2007-06-14 US disclosed
US-7186750-B2 Optically active maleimide derivatives, optically active polymaleimide derivatives, process for their production, separating media comprising the optically active polymaleimide derivatives and method of separating optically active compounds using them TOSOH CORPORATION (JP) 2007-03-06 US disclosed
US-20040235937-A1 Optically active maleimide derivatives, optically active polymaleimide derivatives, process for their production, separating media comprising the optically active polymaleimide derivatives and method of separating optically active compounds using them TOSOH CORPORATION (JP) 2004-11-25 US disclosed
EP-1479669-A1 Optically active maleimide derivatives and polymaleimides for use as chiral adsorbent in chromatography Tosoh Corporation (JP) 2004-11-24 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 (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-20080230482-A1 Optically active polymaleimide derivatives and process for their production CYBA, COASY, MEP1B KCNA5 1428/4885SCN5A 1856/4885OPRM1 2204/4885
US-20040235937-A1 Optically active maleimide derivatives, optically active polymaleimide derivatives, process for their production, separating media comprising the optically active polymaleimide derivatives and method of separating optically active compounds using them MACF1, MEP1B, CYBA KCNA5 1535/4885SCN5A 2497/4885OPRM1 1590/4885
US-20070131616-A1 Optically active maleimide derivatives, optically active polymaleimide derivatives, process for their production, separating media comprising the optically active polymaleimide derivatives and method of separating optically active compounds using them MACF1, MEP1B, ACMSD KCNA5 1514/4885SCN5A 2425/4885OPRM1 1725/4885

“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.