SCHEMBL1933773

SCHEMBL1933773

CC(C)[C@H](N)C(=O)OCC(Cl)(Cl)Cl

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.39
GRIN2D O15399 1/20 0.37
GRIN3B O60391 1/20 0.37
GRIN1 Q05586 1/20 0.37
GRIN2A Q12879 1/20 0.37
GRIN2B Q13224 1/20 0.37
GRIN2C Q14957 1/20 0.37
GRIN3A Q8TCU5 1/20 0.37
PSMB5 P28074 1/20 0.33
CHRM2 P08172 1/20 0.32
CHRM4 P08173 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRM3 P20309 1/20 0.32
DPP4 P27487 2/20 0.32
FAP Q12884 1/20 0.31
DPP8 Q6V1X1 1/20 0.31
DPP9 Q86TI2 1/20 0.31
DPP7 Q9UHL4 1/20 0.31
HTT P42858 1/20 0.30

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
SCHEMBL26231100 0.83 SLC7A5 (0.42) SLC7A5GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL9038953 0.83 GRIN2D (0.50) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL721376 0.81 SLC7A5 (0.41) SLC7A5GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL721378 0.81 SLC7A5 (0.41) SLC7A5GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL6769768 0.79 HTT (0.54) SLC7A5GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL19581794 0.79 SLC7A5 (0.39) SLC7A5GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL19581789 0.79 SLC7A5 (0.39) SLC7A5GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL10344354 0.78 ALDH1A1 (0.39) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL23077809 0.78 SLC7A5 (0.38) SLC7A5GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL20747686 0.78 SLC7A5 (0.38) SLC7A5GRIN2DGRIN3BGRIN1GRIN2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3897153-A1 ISOLATION OF FUNGAL MELANIN AND USES IN EXTERNAL RADIATION SHIELDING AND HEAT CAPTURE The Johns Hopkins University (US) 2021-10-27 EP claimed
WO-2020132555-A1 ISOLATION OF FUNGAL MELANIN AND USES IN EXTERNAL RADIATION SHIELDING AND HEAT CAPTURE THE JOHNS HOPKINS UNIVERSITY (US) 2020-06-25 WO claimed
US-20230172903-A1 INHIBITORS OF GLUCOSYLCERAMIDE SYNTHASE GENZYME CORPORATION 2023-06-08 US disclosed
US-20210393590-A1 INHIBITORS OF GLUCOSYLCERAMIDE SYNTHASE GENZYME CORP (US) 2021-12-23 US disclosed
US-20210369672-A1 INHIBITORS OF GLUCOSYLCERAMIDE SYNTHASE GENZYME CORP (US) 2021-12-02 US disclosed
EP-3898170-A1 MELANIN BASED BIO-COMPOSITES FOR 3D PRINTING The Johns Hopkins University (US) 2021-10-27 EP disclosed
EP-3897153-A1 ISOLATION OF FUNGAL MELANIN AND USES IN EXTERNAL RADIATION SHIELDING AND HEAT CAPTURE The Johns Hopkins University (US) 2021-10-27 EP disclosed
EP-3896069-A1 PHARMACEUTICAL COMPOSITION OF THE GLUCOSYLCERAMIDE SYNTHASE INHIBITOR ELIGLUSTAT FOR THE TREATMENT GAUCHER'S DISEASE COMPRISING ADJUSTING THE INDIVIDUAL THERAPEUTICAL DOSE TO THE P450 METABOLISM OF THE PATIENT Genzyme Corporation (US) 2021-10-20 EP disclosed
EP-3599237-B1 PHARMACEUTICAL COMPOSITION OF THE GLUCOSYLCERAMIDE SYNTHASE INHIBITOR ELIGLUSTAT FOR THE TREATMENT OF GAUCHER'S DISEASE COMPRISING ADJUSTING THE INDIVIDUAL THERAPEUTICAL DOSE TO THE P450 METABOLISM OF THE PATIENT GENZYME CORP (US) 2021-03-24 EP disclosed
EP-2504332-B2 AN AMORPHOUS AND A CRYSTALLINE FORM OF GENZ 112638 HEMITARTRATE AS INHIBITOR OF GLUCOSYLCERAMIDE SYNTHASE GENZYME CORP (US) 2021-03-17 EP disclosed
US-10888547-B2 Amorphous and a crystalline form of genz 112638 hemitartrate as inhibitor of glucosylceramide synthase GENZYME CORPORATION (US) 2021-01-12 US disclosed
US-20070014842-A1 Pharmaceutical liposomal compositions ID BIOMEDICAL CORPORATION OF QUEBEC C.O.B. AS GLAXOSMITHKLINE BIOLOGICALS NORTH AMERICA (CA) 2007-01-18 US disclosed
US-20060037104-A1 Modified cottonseed oil COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION 2006-02-16 US disclosed
US-6974898-B2 Method of modifying the content of cottonseed oil COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2005-12-13 US disclosed
US-20050107597-A1 Polypeptides of pseudomonas aeruginosa ID BIOMEDICAL CORPORATION (CA) 2005-05-19 US disclosed
EP-1282709-A4 METHOD OF MODIFYING THE CONTENT OF COTTONSEED OIL COMMW SCIENT IND RES ORG (AU) 2005-01-19 EP disclosed
US-20040132652-A1 Pharmaceutical compositions SHIRE BIOCHEM INC. (CA) 2004-07-08 US disclosed
EP-1282709-A1 METHOD OF MODIFYING THE CONTENT OF COTTONSEED OIL COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2003-02-12 EP disclosed
US-20020104124-A1 Method of modifying the content of cottonseed oil COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2002-08-01 US disclosed
WO-2001079499-A1 METHOD OF MODIFYING THE CONTENT OF COTTONSEED OIL COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2001-10-25 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 (5 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-20210393590-A1 INHIBITORS OF GLUCOSYLCERAMIDE SYNTHASE GBA1, UGCG, GBA2 SLC7A5 951/4885GRIN2D 3249/4885GRIN3B 2131/4885
US-20230172903-A1 INHIBITORS OF GLUCOSYLCERAMIDE SYNTHASE GBA1, UGCG, GBA2 SLC7A5 833/4885GRIN2D 3266/4885GRIN3B 2067/4885
US-20210369672-A1 INHIBITORS OF GLUCOSYLCERAMIDE SYNTHASE GBA1, UGCG, GBA2 SLC7A5 833/4885GRIN2D 3266/4885GRIN3B 2067/4885
US-20070014842-A1 Pharmaceutical liposomal compositions NGLY1, PHOSPHO1, LPXN SLC7A5 2535/4885GRIN2D 4275/4885GRIN3B 3095/4885
US-10888547-B2 Amorphous and a crystalline form of genz 112638 hemitartrate as inhibitor of glucosylceramide synthase GBA1, GBA2, UGCG SLC7A5 877/4885GRIN2D 2334/4885GRIN3B 1902/4885

“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.