SCHEMBL2811392

SCHEMBL2811392

CC(C)(C)OC(=O)N1CC=C(c2cccc(-c3ccccc3)c2)CC1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDK4 Q16654 1/20 0.60
NAMPT P43490 1/20 0.59
GRM5 P41594 9/20 0.57
GRM1 Q13255 9/20 0.57
HTR6 P50406 1/20 0.53
CYP11B2 P19099 1/20 0.48
USP30 Q70CQ3 2/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
NPC1 O15118 1/20 0.48
ALDH1A1 P00352 1/20 0.48
ALOX15 P16050 1/20 0.48
TSHR P16473 1/20 0.48
RAB9A P51151 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
KCNH2 Q12809 1/20 0.47
HRH3 Q9Y5N1 1/20 0.47

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
SCHEMBL19989639 0.92 NAMPT (0.67) PDK4NAMPTGRM5GRM1HTR6
SCHEMBL2239831 0.92 NAMPT (0.66) PDK4NAMPTGRM5GRM1HTR6
SCHEMBL2954198 0.90 NAMPT (0.54) PDK4NAMPTGRM5GRM1CYP11B2
SCHEMBL4459006 0.90 PDK4 (0.54) PDK4NAMPTGRM5GRM1HTR6
SCHEMBL7831576 0.89 PDK4 (0.58) PDK4NAMPTGRM5GRM1HTR6
SCHEMBL3169756 0.88 PDK4 (0.55) PDK4NAMPTGRM5GRM1HTR6
SCHEMBL29914645 0.88 PDK4 (0.57) PDK4NAMPTGRM5GRM1HTR6
SCHEMBL1364792 0.88 PDK4 (0.57) PDK4NAMPTGRM5GRM1HTR6
SCHEMBL7939636 0.88 PDK4 (0.55) PDK4NAMPTGRM5GRM1HTR6
SCHEMBL902871 0.87 PDK4 (0.56) PDK4NAMPTGRM5GRM1HTR6

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-20250026749-A1 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS GENZYME CORPORATION (US) 2025-01-23 US disclosed
US-12060349-B2 Glucosylceramide synthase inhibitors GENZYME CORPORATION (US) 2024-08-13 US disclosed
EP-4098654-A1 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS Genzyme Corporation (US) 2022-12-07 EP disclosed
US-20220073508-A1 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS GENZYME CORPORATION (US) 2022-03-10 US disclosed
EP-2895484-B1 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS GENZYME CORP (US) 2022-02-23 EP disclosed
US-11008316-B2 Glucosylceramide synthase inhibitors GENZYME CORPORATION (US) 2021-05-18 US disclosed
US-20180065957-A1 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS GENZYME CORPORATION (US) 2018-03-08 US disclosed
US-20150210681-A1 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS GENZYME CORPORATION (US) 2015-07-30 US disclosed
EP-2895484-A1 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS Genzyme Corporation (US) 2015-07-22 EP disclosed
WO-2014043068-A1 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS GENZYME CORPORATION (US) 2014-03-20 WO disclosed
EP-1689712-B1 4-PHENYLPIPERIDINE DERIVATIVES AS RENIN INHIBITORS NOVARTIS AG (CH) 2009-08-19 EP disclosed
EP-1996550-A2 CARBOXYAMINE COMPOUNDS AND THEIR USE IN THE TREATMENT OF HDAC DEPENDENT DISEASES Novartis AG (CH) 2008-12-03 EP disclosed
US-20080269255-A1 4-Phenylpiperidine Derivatives as Renin Inhibitors NOVARTIS AG (CH) 2008-10-30 US disclosed
US-20080255149-A1 Carboxyamine Compounds and Methods of Use Thereof NOVARTIS AG 2008-10-16 US disclosed
US-20080255149-A1 Carboxyamine Compounds and Methods of Use Thereof NOVARTIS AG 2008-10-16 US disclosed
US-20080255149-A1 Carboxyamine Compounds and Methods of Use Thereof NOVARTIS AG 2008-10-16 US disclosed
US-20070078164-A1 4-Phenylpiperidine derivatives as renin inhibitors SEDRANI RICHARD 2007-04-05 US disclosed
WO-2007038459-A2 CARBOXYAMINE COMPOUNDS AND THEIR USE IN THE TREATMENT OF HDAC DEPENDENT DISEASES NOVARTIS AG (CH) 2007-04-05 WO disclosed
WO-2007038459-A2 CARBOXYAMINE COMPOUNDS AND THEIR USE IN THE TREATMENT OF HDAC DEPENDENT DISEASES NOVARTIS AG (CH) 2007-04-05 WO disclosed
US-5712285-A Pyrrolo-pyridine derivatives MERCK, SHARP & DOHME, LTD. (GB) 1998-01-27 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 (9 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-20150210681-A1 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS GBA1, GBA2, GAA PDK4 2731/4885NAMPT 312/4885GRM5 2726/4885
US-20180065957-A1 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS GBA1, GBA2, GAA PDK4 2731/4885NAMPT 312/4885GRM5 2726/4885
US-11008316-B2 Glucosylceramide synthase inhibitors GBA1, GBA2, GAA PDK4 2518/4885NAMPT 390/4885GRM5 2657/4885
US-12060349-B2 Glucosylceramide synthase inhibitors GBA1, GBA2, GALC PDK4 3819/4885NAMPT 407/4885GRM5 2129/4885
US-20250026749-A1 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS GBA1, GBA2, GAA PDK4 2731/4885NAMPT 312/4885GRM5 2726/4885
US-20080255149-A1 Carboxyamine Compounds and Methods of Use Thereof HNMT, HDAC5, HDAC4 PDK4 1004/4885NAMPT 217/4885GRM5 610/4885
US-20080269255-A1 4-Phenylpiperidine Derivatives as Renin Inhibitors REN, AGTR1, ACE PDK4 362/4885NAMPT 3894/4885GRM5 2102/4885
US-20070078164-A1 4-Phenylpiperidine derivatives as renin inhibitors REN, AGTR1, ACE PDK4 299/4885NAMPT 3783/4885GRM5 2403/4885
US-20220073508-A1 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS GBA1, GBA2, GAA PDK4 2731/4885NAMPT 312/4885GRM5 2726/4885

“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.