SCHEMBL2363928

SCHEMBL2363928

CC1(COc2ccc(N3CCC(Oc4ccc(OC(F)(F)F)cc4)CC3)cc2)CO1

nearest known ligand 0.72

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 6/20 0.72
PTGS1 P23219 1/20 0.61
SLC6A2 P23975 1/20 0.61
SLC6A4 P31645 1/20 0.61
ACACB O00763 7/20 0.44
MMP12 P39900 1/20 0.43
MMP13 P45452 1/20 0.43
MMP14 P50281 1/20 0.43
FFAR1 O14842 3/20 0.41
SCN5A Q14524 1/20 0.41
SCN9A Q15858 1/20 0.41
PDE3B Q13370 1/20 0.41
PDE3A Q14432 1/20 0.41
CHRM4 P08173 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
SCHEMBL2363925 1.00 KCNH2 (0.72) KCNH2PTGS1SLC6A2SLC6A4ACACB
SCHEMBL3664766 0.95 KCNH2 (0.67) KCNH2PTGS1SLC6A2SLC6A4ACACB
SCHEMBL3664769 0.95 KCNH2 (0.67) KCNH2PTGS1SLC6A2SLC6A4ACACB
SCHEMBL2316010 0.92 KCNH2 (0.68) KCNH2PTGS1SLC6A2SLC6A4ACACB
SCHEMBL3028831 0.88 KCNH2 (0.58) KCNH2PTGS1SLC6A2SLC6A4ACACB
SCHEMBL3028835 0.88 KCNH2 (0.58) KCNH2PTGS1SLC6A2SLC6A4ACACB
SCHEMBL3038267 0.85 KCNH2 (0.55) KCNH2PTGS1SLC6A2SLC6A4CHRM4
SCHEMBL3038264 0.85 KCNH2 (0.55) KCNH2PTGS1SLC6A2SLC6A4CHRM4
SCHEMBL22527428 0.82 KCNH2 (0.57) KCNH2PTGS1SLC6A2SLC6A4ACACB
SCHEMBL2056202 0.81 KCNH2 (0.58) KCNH2PTGS1SLC6A2SLC6A4ACACB

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 24 patents — showing the first 20. 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
WO-2020202205-A1 PROCESS FOR THE PREPARATION OF DERIVATIVES OF 1,1-DIALKYLETHANE-1,2-DIOLS AS USEFUL INTERMEDIATES COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2020-10-08 WO disclosed
EP-3275862-A1 METHOD FOR PRODUCING 1-(4-HYDROXYPHENYL)-4-(4-TRIFLUOROMETHOXYPHENOXY)PIPERIDINE OR SALT THEREOF Otsuka Pharmaceutical Co., Ltd. (JP) 2018-01-31 EP disclosed
EP-2528896-B1 SYNTHETIC INTERMEDIATE OF OXAZOLE COMPOUND AND METHOD FOR PRODUCING THE SAME OTSUKA PHARMA CO LTD (JP) 2014-08-27 EP disclosed
EP-2528896-B1 SYNTHETIC INTERMEDIATE OF OXAZOLE COMPOUND AND METHOD FOR PRODUCING THE SAME OTSUKA PHARMA CO LTD (JP) 2014-08-27 EP disclosed
US-8598358-B2 Synthetic intermediate of oxazole compound and method for producing the same OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-12-03 US disclosed
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-20120302757-A1 SYNTHETIC INTERMEDIATE OF OXAZOLE COMPOUND AND METHOD FOR PRODUCING THE SAME OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-11-29 US disclosed
EP-2144899-B1 EPOXY COMPOUND AND METHOD FOR MANUFACTURING THE SAME OTSUKA PHARMA CO LTD (JP) 2011-12-07 EP disclosed
WO-2011093529-A1 SYNTHETIC INTERMEDIATE OF OXAZOLE COMPOUND AND METHOD FOR PRODUCING THE SAME OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2011-08-04 WO disclosed
WO-2011093529-A1 SYNTHETIC INTERMEDIATE OF OXAZOLE COMPOUND AND METHOD FOR PRODUCING THE SAME OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2011-08-04 WO 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 (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-20120302757-A1 SYNTHETIC INTERMEDIATE OF OXAZOLE COMPOUND AND METHOD FOR PRODUCING THE SAME GLP1R, HBB, OXA1L KCNH2 2417/4885PTGS1 3299/4885SLC6A2 4032/4885
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.