SCHEMBL3028835

SCHEMBL3028835

CC1(COc2ccc(N3CCC(OCc4ccc(OC(F)(F)F)cc4)CC3)cc2)CO1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 5/20 0.58
CARM1 Q86X55 2/20 0.51
PRMT6 Q96LA8 2/20 0.51
PTGS1 P23219 1/20 0.49
SLC6A2 P23975 1/20 0.49
SLC6A4 P31645 1/20 0.49
SCN9A Q15858 7/20 0.47
SCN4A P35499 1/20 0.45
SCN5A Q14524 1/20 0.45
SCN3A Q9NY46 1/20 0.45
CHRM4 P08173 3/20 0.39
ACACB O00763 1/20 0.37
CHRM1 P11229 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
SCHEMBL3028831 1.00 KCNH2 (0.58) KCNH2CARM1PRMT6PTGS1SLC6A2
SCHEMBL2363925 0.88 KCNH2 (0.72) KCNH2PTGS1SLC6A2SLC6A4SCN9A
SCHEMBL2363928 0.88 KCNH2 (0.72) KCNH2PTGS1SLC6A2SLC6A4SCN9A
SCHEMBL3038267 0.86 KCNH2 (0.55) KCNH2PTGS1SLC6A2SLC6A4CHRM4
SCHEMBL3038264 0.86 KCNH2 (0.55) KCNH2PTGS1SLC6A2SLC6A4CHRM4
SCHEMBL3664769 0.85 KCNH2 (0.67) KCNH2PTGS1SLC6A2SLC6A4SCN9A
SCHEMBL3664766 0.85 KCNH2 (0.67) KCNH2PTGS1SLC6A2SLC6A4SCN9A
SCHEMBL27801411 0.81 CARM1 (0.52) KCNH2CARM1PRMT6PTGS1SLC6A2
SCHEMBL2095960 0.81 CARM1 (0.58) KCNH2CARM1PRMT6SCN9ASCN4A
SCHEMBL3028014 0.81 CARM1 (0.51) KCNH2CARM1PRMT6PTGS1SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8552188-B2 Epoxy compound and method for manufacturing the same OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-10-08 US claimed
US-20130072683-A1 EPOXY COMPOUND AND METHOD FOR MANUFACTURING THE SAME OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-03-21 US claimed
EP-2144899-B1 EPOXY COMPOUND AND METHOD FOR MANUFACTURING THE SAME OTSUKA PHARMA CO LTD (JP) 2011-12-07 EP claimed
US-20100217005-A1 EPOXY COMPOUND AND METHOD FOR MANUFACTURING THE SAME OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-08-26 US claimed
US-8552188-B2 Epoxy compound and method for manufacturing the same OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-10-08 US disclosed
US-20130072683-A1 EPOXY COMPOUND AND METHOD FOR MANUFACTURING THE SAME OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-03-21 US disclosed
US-8344148-B2 Epoxy compound and method for manufacturing the same OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-01-01 US disclosed
EP-2144899-B1 EPOXY COMPOUND AND METHOD FOR MANUFACTURING THE SAME OTSUKA PHARMA CO LTD (JP) 2011-12-07 EP disclosed
US-20100217005-A1 EPOXY COMPOUND AND METHOD FOR MANUFACTURING THE SAME OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-08-26 US disclosed
EP-2144899-A1 EPOXY COMPOUND AND METHOD FOR MANUFACTURING THE SAME Otsuka Pharmaceutical Co., Ltd. (JP) 2010-01-20 EP disclosed
WO-2008140090-A1 EPOXY COMPOUND AND METHOD FOR MANUFACTURING THE SAME OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-11-20 WO 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 (2 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-20130072683-A1 EPOXY COMPOUND AND METHOD FOR MANUFACTURING THE SAME SQLE, CYP2E1, CYP1A1 KCNH2 1413/4885CARM1 359/4885PRMT6 1134/4885
US-20100217005-A1 EPOXY COMPOUND AND METHOD FOR MANUFACTURING THE SAME SQLE, CYP2E1, CYP1A1 KCNH2 1327/4885CARM1 409/4885PRMT6 1210/4885

“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.