SCHEMBL2167782

SCHEMBL2167782

O=C(Nc1ccc2ccccc2c1)N[C@H](CN1CCCC1)[C@@H](O)C1=COC=C(C2=CC=CCC2)O1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR3 P49682 4/20 0.35
CYP2D6 P10635 1/20 0.35
KDM4E B2RXH2 1/20 0.34
UGCG Q16739 4/20 0.33
EPHX1 P07099 2/20 0.33
CNR1 P21554 1/20 0.33
MAPT P10636 3/20 0.32
RAB9A P51151 2/20 0.32
NPC1 O15118 1/20 0.32
HTT P42858 2/20 0.32
EPHX2 P34913 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
HSD17B10 Q99714 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MEN1 O00255 1/20 0.32
MITF O75030 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CA2 P00918 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
SCHEMBL2179165 0.89 HTR3A (0.38) CYP2D6KDM4EUGCGMAPTRAB9A
SCHEMBL2168748 0.87 KDM4E (0.40) KDM4EUGCGMAPTALDH1A1HSD17B10
SCHEMBL3108451 0.85 GAA (0.40) CXCR3KDM4ERAB9AEPHX2MEN1
SCHEMBL2181527 0.85 UGCG (0.40) UGCGEPHX2
SCHEMBL2167862 0.85 UGCG (0.41) UGCGEPHX1EPHX2ALDH1A1
SCHEMBL2181012 0.83 KMT2A (0.37) CYP2D6KDM4EUGCGMAPTLMNA
SCHEMBL3101300 0.83 UGCG (0.41) CYP2D6UGCGMAPTNPC1ALDH1A1
SCHEMBL2168773 0.83 UGCG (0.41) CYP2D6UGCGMAPTNPC1ALDH1A1
SCHEMBL2169059 0.83 UGCG (0.41) CYP2D6UGCGMAPTNPC1ALDH1A1
SCHEMBL2178977 0.82 METAP2 (0.36) UGCGEPHX2LMNA

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-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
EP-2594564-B1 2-acylaminopropanol-type glucosylceramide synthase inhibitors GENZYME CORP (US) 2016-09-28 EP 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
EP-2594562-A2 2-acylaminopropanol-type glucosylceramide synthase inhibitors Genzyme Corporation (US) 2013-05-22 EP 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 (11 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 CXCR3 4206/4885CYP2D6 3994/4885KDM4E 3438/4885
US-10220039-B2 Method of treating polycystic kidney diseases with ceramide derivatives SGMS1, SGMS2, CERS2 CXCR3 4206/4885CYP2D6 3994/4885KDM4E 3438/4885
US-20150225393-A1 2-Acylaminopropoanol-Type Glucosylceramide Synthase Inhibitors ASAH2, GBA1, GAA CXCR3 4766/4885CYP2D6 2982/4885KDM4E 3499/4885
US-20110184021-A1 2-Acylaminopropoanol-Type Glucosylceramide Synthase Inhibitors GBA1, GBA2, ASAH2 CXCR3 4733/4885CYP2D6 2491/4885KDM4E 3466/4885
US-20100256216-A1 2-ACYLAMINOPROPOANOL-TYPE GLUCOSYLCERAMIDE SYNTHASE INHIBITORS ASAH2, GBA1, GAA CXCR3 4766/4885CYP2D6 2982/4885KDM4E 3499/4885
US-20120322786-A1 2-ACYLAMINOPROPOANOL-TYPE GLUCOSYLCERAMIDE SYNTHASE INHIBITORS GBA1, GBA2, ASAH2 CXCR3 4733/4885CYP2D6 2491/4885KDM4E 3466/4885
US-20170258802-A1 METHOD OF TREATING POLYCYSTIC KIDNEY DISEASES WITH CERAMIDE DERIVATIVES SGMS1, SGMS2, CERS2 CXCR3 4206/4885CYP2D6 3994/4885KDM4E 3438/4885
US-20120322787-A1 2-ACYLAMINOPROPOANOL-TYPE GLUCOSYLCERAMIDE SYNTHASE INHIBITORS ASAH2, GBA1, GAA CXCR3 4766/4885CYP2D6 2982/4885KDM4E 3499/4885
US-20110166134-A1 Glucosylceramide Synthase Inhibition For The Treatment Of Collapsing Glomerulopathy And Other Glomerular Disease GBA1, UGCG, GBA2 CXCR3 2552/4885CYP2D6 4674/4885KDM4E 4482/4885
US-20160338996-A1 2-Acylaminopropoanol-Type Glucosylceramide Synthase Inhibitors GBA1, GBA2, ASAH2 CXCR3 4733/4885CYP2D6 2491/4885KDM4E 3466/4885
US-20100298317-A1 METHOD OF TREATING POLYCYSTIC KIDNEY DISEASES WITH CERAMIDE DERIVATIVES SGMS1, SGMS2, CERS2 CXCR3 4206/4885CYP2D6 3994/4885KDM4E 3438/4885

“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.