SCHEMBL16596000

SCHEMBL16596000

CCOC(=O)C(=O)c1ccc(-c2ccn(C3CC3)n2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
KDM4E B2RXH2 2/20 0.37
FDFT1 P37268 1/20 0.37
HSD17B10 Q99714 1/20 0.37
MAPK1 P28482 1/20 0.36
HTT P42858 2/20 0.36
ATM Q13315 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CD274 Q9NZQ7 1/20 0.36
TSHR P16473 1/20 0.36
MAPT P10636 2/20 0.35
JMJD6 Q6NYC1 3/20 0.34
RAB9A P51151 1/20 0.34
KDM5C P41229 1/20 0.34
KDM2A Q9Y2K7 1/20 0.34
KDM3A Q9Y4C1 1/20 0.34
GAA P10253 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 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
SCHEMBL16595865 0.78 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2KDM4EHSD17B10MAPK1
SCHEMBL21636244 0.73 MAPT (0.53) ALDH1A1SMN1; SMN2KDM4EHTTATM
SCHEMBL16244534 0.71 CYP1A2 (0.46) ALDH1A1KDM4ETSHRMAPTJMJD6
SCHEMBL31189417 0.70 JMJD6 (0.37) ALDH1A1SMN1; SMN2KDM4EHSD17B10MAPK1
SCHEMBL11839592 0.69 CES2 (0.54) ALDH1A1SMN1; SMN2MAPK1HTTMAPT
SCHEMBL17420713 0.68 CYP2C9 (0.48) ALDH1A1SMN1; SMN2FDFT1MAPK1HTT
SCHEMBL31454244 0.68 SMN1; SMN2 (0.38) ALDH1A1SMN1; SMN2KDM4EFDFT1HSD17B10
SCHEMBL31189553 0.68 GRM1 (0.40) ALDH1A1KDM4EHSD17B10MAPK1JMJD6
SCHEMBL1172378 0.68 MAPT (0.60) ALDH1A1SMN1; SMN2KDM4EL3MBTL1CD274
SCHEMBL733461 0.68 TSHR (0.42) HTTTSHRMAPTJMJD6KDM5C

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3912977-A1 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS FOR THE TREATMENT OF DISEASES BioMarin Pharmaceutical Inc. (US) 2021-11-24 EP disclosed
EP-3046920-B1 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS FOR THE TREATMENT OF DISEASES BIOMARIN PHARM INC (US) 2021-08-04 EP disclosed
US-10927092-B2 Glucosylceramide synthase inhibitors for the treatment of diseases BIOMARIN PHARM INC (US) 2021-02-23 US disclosed
US-20190263775-A1 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS FOR THE TREATMENT OF DISEASES BIOMARIN PHARM INC (US) 2019-08-29 US disclosed
US-10227323-B2 Glucosylceramide synthase inhibitors for the treatment of diseases BIOMARIN PHARMACEUTICAL INC. (US) 2019-03-12 US disclosed
US-20160229830-A1 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS FOR THE TREATMENT OF DISEASES BIOMARIN PHARMACEUTICAL INC. 2016-08-11 US disclosed
US-20160229830-A1 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS FOR THE TREATMENT OF DISEASES BIOMARIN PHARMACEUTICAL INC. 2016-08-11 US disclosed
WO-2015042397-A1 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS FOR THE TREATMENT OF DISEASES BIOMARIN PHARMACEUTICAL INC. (US) 2015-03-26 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 (4 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-10927092-B2 Glucosylceramide synthase inhibitors for the treatment of diseases GBA1, UGCG, GBA2 ALDH1A1 1342/4885SMN1; SMN2 1269/4885KDM4E 4557/4885
US-20160229830-A1 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS FOR THE TREATMENT OF DISEASES GBA1, UGCG, GBA2 ALDH1A1 1342/4885SMN1; SMN2 1269/4885KDM4E 4557/4885
US-10227323-B2 Glucosylceramide synthase inhibitors for the treatment of diseases GBA1, UGCG, GBA2 ALDH1A1 1342/4885SMN1; SMN2 1269/4885KDM4E 4557/4885
US-20190263775-A1 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS FOR THE TREATMENT OF DISEASES GBA1, UGCG, GBA2 ALDH1A1 1342/4885SMN1; SMN2 1269/4885KDM4E 4557/4885

“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.