SCHEMBL2167612

SCHEMBL2167612

O=C(Cc1ccc(-c2ccc(Cl)cc2)cc1)N[C@H](CN1CCCC1)[C@@H](O)C1=COC=C(C2=CC=CCC2)O1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TSHR P16473 1/20 0.34
UGCG Q16739 8/20 0.33
CHRM1 P11229 4/20 0.33
HTR2A P28223 4/20 0.33
MCHR1 Q99705 4/20 0.33
HTR1A P08908 1/20 0.32
PTGS1 P23219 1/20 0.32
OPRM1 P35372 1/20 0.32
CYP2D6 P10635 1/20 0.32
MAPT P10636 1/20 0.32
CNR2 P34972 1/20 0.31

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
SCHEMBL2168818 0.93 UGCG (0.39) SMN1; SMN2UGCGCYP2D6MAPT
SCHEMBL2169227 0.93 AVPR1B (0.37) UGCGMCHR1
SCHEMBL2168497 0.88 CHRNA7 (0.35) UGCG
SCHEMBL2166965 0.88 KCNQ2 (0.35) UGCGHTR1APTGS1OPRM1
SCHEMBL2181889 0.88 KDM4E (0.40) UGCGCHRM1HTR2AMCHR1MAPT
SCHEMBL2167768 0.87 UGCG (0.42) UGCGMCHR1MAPT
SCHEMBL2168532 0.87 UGCG (0.38) UGCGMCHR1CYP2D6MAPT
SCHEMBL2168138 0.87 HTR2A (0.39) GAASMN1; SMN2TSHRCHRM1HTR2A
SCHEMBL2167637 0.86 MEN1 (0.38) UGCGHTR1APTGS1OPRM1
SCHEMBL2168095 0.86 UGCG (0.45) 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 16 patents. 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
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-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-8912177-B2 Method of treating polycystic kidney diseases with ceramide derivatives GENZYME CORPORATION (US) 2014-12-16 US disclosed
US-20140336174-A1 Glucosylceramide Synthase Inhibition For The Treatment Of Collapsing Glomerulopathy And Other Glomerular Disease GENZYME CORPORATION (US) 2014-11-13 US disclosed
US-8729075-B2 Glucosylceramide synthase inhibition for the treatment of collapsing glomerulopathy and other glomerular disease GENZYME CORPORATION (US) 2014-05-20 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-20120322787-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-20110184021-A1 2-Acylaminopropoanol-Type Glucosylceramide Synthase Inhibitors GENZYME CORPORATION 2011-07-28 US disclosed
US-20100298317-A1 METHOD OF TREATING POLYCYSTIC KIDNEY DISEASES WITH CERAMIDE DERIVATIVES GENZYME CORPORATION 2010-11-25 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 (10 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 GAA 247/4885SMN1; SMN2 1980/4885TSHR 4238/4885
US-20140336174-A1 Glucosylceramide Synthase Inhibition For The Treatment Of Collapsing Glomerulopathy And Other Glomerular Disease GBA1, UGCG, GBA2 GAA 59/4885SMN1; SMN2 4031/4885TSHR 3985/4885
US-10220039-B2 Method of treating polycystic kidney diseases with ceramide derivatives SGMS1, SGMS2, CERS2 GAA 247/4885SMN1; SMN2 1980/4885TSHR 4238/4885
US-20150225393-A1 2-Acylaminopropoanol-Type Glucosylceramide Synthase Inhibitors ASAH2, GBA1, GAA GAA 3/4885SMN1; SMN2 964/4885TSHR 2541/4885
US-20110184021-A1 2-Acylaminopropoanol-Type Glucosylceramide Synthase Inhibitors GBA1, GBA2, ASAH2 GAA 36/4885SMN1; SMN2 3937/4885TSHR 3687/4885
US-20170258802-A1 METHOD OF TREATING POLYCYSTIC KIDNEY DISEASES WITH CERAMIDE DERIVATIVES SGMS1, SGMS2, CERS2 GAA 247/4885SMN1; SMN2 1980/4885TSHR 4238/4885
US-20130225573-A1 GLUCOSYLCERAMIDE SYNTHASE INHIBITION FOR THE TREATMENT OF COLLAPSING GLOMERULOPATHY AND OTHER GLOMERULAR DISEASE GBA1, UGCG, GBA2 GAA 59/4885SMN1; SMN2 4031/4885TSHR 3985/4885
US-20120322787-A1 2-ACYLAMINOPROPOANOL-TYPE GLUCOSYLCERAMIDE SYNTHASE INHIBITORS ASAH2, GBA1, GAA GAA 3/4885SMN1; SMN2 964/4885TSHR 2541/4885
US-20160338996-A1 2-Acylaminopropoanol-Type Glucosylceramide Synthase Inhibitors GBA1, GBA2, ASAH2 GAA 36/4885SMN1; SMN2 3937/4885TSHR 3687/4885
US-20100298317-A1 METHOD OF TREATING POLYCYSTIC KIDNEY DISEASES WITH CERAMIDE DERIVATIVES SGMS1, SGMS2, CERS2 GAA 247/4885SMN1; SMN2 1980/4885TSHR 4238/4885

“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.