SCHEMBL3035896

SCHEMBL3035896

FC(F)(F)Oc1ccc(OC2CCN(c3ccc(OCC4CO4)cc3)CC2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.56
PTGS1 P23219 1/20 0.48
SLC6A2 P23975 1/20 0.48
SLC6A4 P31645 1/20 0.48
DRD4 P21917 1/20 0.44
ACACB O00763 6/20 0.43
TP53 P04637 2/20 0.42
MAPT P10636 2/20 0.42
HPGD P15428 2/20 0.42
TSHR P16473 2/20 0.42
ALDH1A1 P00352 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
CYP1A2 P05177 1/20 0.42
PPARG P37231 1/20 0.42
HIF1A Q16665 1/20 0.42
TDP1 Q9NUW8 1/20 0.40
PDE3B Q13370 1/20 0.40
PDE3A Q14432 1/20 0.40
SCN9A Q15858 1/20 0.40

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
SCHEMBL3035894 1.00 KCNH2 (0.56) KCNH2PTGS1SLC6A2SLC6A4DRD4
SCHEMBL3028014 0.87 CARM1 (0.51) KCNH2PTGS1SLC6A2SLC6A4DRD4
SCHEMBL3030597 0.87 CARM1 (0.51) KCNH2PTGS1SLC6A2SLC6A4DRD4
SCHEMBL3034427 0.84 DRD4 (0.47) KCNH2DRD4TP53MAPTHPGD
SCHEMBL3034428 0.84 DRD4 (0.47) KCNH2DRD4TP53MAPTHPGD
SCHEMBL7968652 0.81 ALDH1A1 (0.60) DRD4TP53MAPTHPGDTSHR
SCHEMBL7968648 0.81 ALDH1A1 (0.60) DRD4TP53MAPTHPGDTSHR
SCHEMBL1227958 0.81 ALDH1A1 (0.60) DRD4TP53MAPTHPGDTSHR
SCHEMBL22527428 0.80 KCNH2 (0.57) KCNH2PTGS1SLC6A2SLC6A4ACACB
SCHEMBL2056141 0.79 KCNH2 (0.56) KCNH2PTGS1SLC6A2SLC6A4TSHR

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 13 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
EP-2144899-A1 EPOXY COMPOUND AND METHOD FOR MANUFACTURING THE SAME Otsuka Pharmaceutical Co., Ltd. (JP) 2010-01-20 EP claimed
WO-2008140090-A1 EPOXY COMPOUND AND METHOD FOR MANUFACTURING THE SAME OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-11-20 WO 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 1413/4885PTGS1 100/4885SLC6A2 4882/4885
US-20100217005-A1 EPOXY COMPOUND AND METHOD FOR MANUFACTURING THE SAME SQLE, CYP2E1, CYP1A1 KCNH2 1327/4885PTGS1 108/4885SLC6A2 4879/4885

“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.