SCHEMBL2167869

SCHEMBL2167869

O=C(Cc1cccc(C(F)(F)F)c1)N[C@H](CN1CCCC1)[C@@H](O)C1=COC=C(C2=CC=CCC2)O1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 1/20 0.39
UGCG Q16739 7/20 0.39
KCNQ2 O43526 1/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
SMYD3 Q9H7B4 1/20 0.37
SIGMAR1 Q99720 2/20 0.37
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL2167861 0.90 UGCG (0.36) UGCGKCNQ2MEN1KMT2ASIGMAR1
SCHEMBL14655749 0.89 UGCG (0.36) UGCGKCNQ2
SCHEMBL3108451 0.87 GAA (0.40) MEN1KMT2AKDM4EGAA
SCHEMBL2166965 0.86 KCNQ2 (0.35) UGCGKCNQ2SIGMAR1KDM4EALDH1A1
SCHEMBL2168095 0.85 UGCG (0.45) UGCG
SCHEMBL2168545 0.85 UGCG (0.41) UGCG
SCHEMBL2168818 0.84 UGCG (0.39) UGCGMEN1KMT2AALDH1A1MAPT
SCHEMBL13560625 0.83 UGCG (0.41) UGCG
SCHEMBL2168532 0.83 UGCG (0.38) UGCGMEN1KMT2AALDH1A1MAPT
SCHEMBL2169227 0.83 AVPR1B (0.37) UGCG

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10220039-B2 Method of treating polycystic kidney diseases with ceramide derivatives GENZYME CORPORATION (US) 2019-03-05 US disclosed
EP-2594563-B1 2-acylaminopropanol-type glucosylceramide synthase inhibitors GENZYME CORP (US) 2018-07-18 EP disclosed
US-20170258802-A1 METHOD OF TREATING POLYCYSTIC KIDNEY DISEASES WITH CERAMIDE DERIVATIVES GENZYME CORPORATION 2017-09-14 US disclosed
US-9744153-B2 2-acylaminopropoanol-type glucosylceramide synthase inhibitors GENZYME CORPORATION (US) 2017-08-29 US disclosed
US-20160338996-A1 2-Acylaminopropoanol-Type Glucosylceramide Synthase Inhibitors GENZYME CORPORATION 2016-11-24 US disclosed
US-9481671-B2 Glucosylceramide synthase inhibition for the treatment of collapsing glomerulopathy and other glomerular disease GENZYME CORPORATION (US) 2016-11-01 US disclosed
US-9272996-B2 2-acylaminopropoanol-type glucosylceramide synthase inhibitors GENZYME CORPORATION (US) 2016-03-01 US disclosed
US-20150225393-A1 2-Acylaminopropoanol-Type Glucosylceramide Synthase Inhibitors GENZYME CORPORATION 2015-08-13 US disclosed
US-20150216872-A1 METHOD OF TREATING POLYCYSTIC KIDNEY DISEASES WITH CERAMIDE DERIVATIVES GENZYME CORPORATION 2015-08-06 US disclosed
US-8940776-B2 2-acylaminopropoanol-type glucosylceramide synthase inhibitors GENZYME CORPORATION (US) 2015-01-27 US disclosed
US-20130225573-A1 GLUCOSYLCERAMIDE SYNTHASE INHIBITION FOR THE TREATMENT OF COLLAPSING GLOMERULOPATHY AND OTHER GLOMERULAR DISEASE GENZYME CORPORATION (US) 2013-08-29 US disclosed
US-8389517-B2 Glucosylceramide synthase inhibition for the treatment of collapsing glomerulopathy and other glomerular disease GENZYME CORPORATION (US) 2013-03-05 US disclosed
US-20120322787-A1 2-ACYLAMINOPROPOANOL-TYPE GLUCOSYLCERAMIDE SYNTHASE INHIBITORS GENZYME CORPORATION (US) 2012-12-20 US disclosed
US-20120322786-A1 2-ACYLAMINOPROPOANOL-TYPE GLUCOSYLCERAMIDE SYNTHASE INHIBITORS GENZYME CORPORATION (US) 2012-12-20 US disclosed
US-8309593-B2 2-acylaminopropoanol-type glucosylceramide synthase inhibitors GENZYME CORPORATION (US) 2012-11-13 US disclosed
US-8304447-B2 2-acylaminopropoanol-type glucosylceramide synthase inhibitors GENZYME CORPORATION (US) 2012-11-06 US disclosed
US-20110184021-A1 2-Acylaminopropoanol-Type Glucosylceramide Synthase Inhibitors GENZYME CORPORATION 2011-07-28 US disclosed
US-20110166134-A1 Glucosylceramide Synthase Inhibition For The Treatment Of Collapsing Glomerulopathy And Other Glomerular Disease GENZYME CORPORATION 2011-07-07 US disclosed
US-20100298317-A1 METHOD OF TREATING POLYCYSTIC KIDNEY DISEASES WITH CERAMIDE DERIVATIVES GENZYME CORPORATION 2010-11-25 US disclosed
US-20100256216-A1 2-ACYLAMINOPROPOANOL-TYPE GLUCOSYLCERAMIDE SYNTHASE INHIBITORS GENZYME CORPORATION 2010-10-07 US 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 (12 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-20150216872-A1 METHOD OF TREATING POLYCYSTIC KIDNEY DISEASES WITH CERAMIDE DERIVATIVES SGMS1, SGMS2, CERS2 OPRK1 4077/4885UGCG 27/4885KCNQ2 1492/4885
US-10220039-B2 Method of treating polycystic kidney diseases with ceramide derivatives SGMS1, SGMS2, CERS2 OPRK1 4077/4885UGCG 27/4885KCNQ2 1492/4885
US-20150225393-A1 2-Acylaminopropoanol-Type Glucosylceramide Synthase Inhibitors ASAH2, GBA1, GAA OPRK1 4339/4885UGCG 6/4885KCNQ2 3889/4885
US-20110184021-A1 2-Acylaminopropoanol-Type Glucosylceramide Synthase Inhibitors GBA1, GBA2, ASAH2 OPRK1 4465/4885UGCG 14/4885KCNQ2 1643/4885
US-20100256216-A1 2-ACYLAMINOPROPOANOL-TYPE GLUCOSYLCERAMIDE SYNTHASE INHIBITORS ASAH2, GBA1, GAA OPRK1 4339/4885UGCG 6/4885KCNQ2 3889/4885
US-20120322786-A1 2-ACYLAMINOPROPOANOL-TYPE GLUCOSYLCERAMIDE SYNTHASE INHIBITORS GBA1, GBA2, ASAH2 OPRK1 4465/4885UGCG 14/4885KCNQ2 1643/4885
US-20170258802-A1 METHOD OF TREATING POLYCYSTIC KIDNEY DISEASES WITH CERAMIDE DERIVATIVES SGMS1, SGMS2, CERS2 OPRK1 4077/4885UGCG 27/4885KCNQ2 1492/4885
US-20130225573-A1 GLUCOSYLCERAMIDE SYNTHASE INHIBITION FOR THE TREATMENT OF COLLAPSING GLOMERULOPATHY AND OTHER GLOMERULAR DISEASE GBA1, UGCG, GBA2 OPRK1 4833/4885UGCG 2/4885KCNQ2 4636/4885
US-20120322787-A1 2-ACYLAMINOPROPOANOL-TYPE GLUCOSYLCERAMIDE SYNTHASE INHIBITORS ASAH2, GBA1, GAA OPRK1 4339/4885UGCG 6/4885KCNQ2 3889/4885
US-20110166134-A1 Glucosylceramide Synthase Inhibition For The Treatment Of Collapsing Glomerulopathy And Other Glomerular Disease GBA1, UGCG, GBA2 OPRK1 4833/4885UGCG 2/4885KCNQ2 4636/4885
US-20160338996-A1 2-Acylaminopropoanol-Type Glucosylceramide Synthase Inhibitors GBA1, GBA2, ASAH2 OPRK1 4465/4885UGCG 14/4885KCNQ2 1643/4885
US-20100298317-A1 METHOD OF TREATING POLYCYSTIC KIDNEY DISEASES WITH CERAMIDE DERIVATIVES SGMS1, SGMS2, CERS2 OPRK1 4077/4885UGCG 27/4885KCNQ2 1492/4885

“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.