SCHEMBL16595242

SCHEMBL16595242

CCOC(=O)C(F)(F)C1Cc2ccc(-c3ccccn3)cc2C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 4/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
PDK2 Q15119 1/20 0.39
SLC6A9 P48067 1/20 0.39
KCNH2 Q12809 1/20 0.38
MCHR1 Q99705 1/20 0.38
LMNA P02545 1/20 0.37
SCN9A Q15858 1/20 0.37
KDM4E B2RXH2 2/20 0.36
HSD17B10 Q99714 2/20 0.36
CASP1 P29466 1/20 0.36
SMO Q99835 2/20 0.36
CYP2D6 P10635 1/20 0.36
CYP19A1 P11511 1/20 0.36
NPEPPS P55786 1/20 0.36
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL16595239 0.83 FAAH (0.47) FAAHPDK2SLC6A9KCNH2MCHR1
SCHEMBL21557433 0.81 FAAH (0.51) FAAHCYP2C19KCNH2MCHR1LMNA
SCHEMBL16595236 0.79 FAAH (0.47) FAAHCYP1A2CYP2C9CYP2C19KCNH2
SCHEMBL16595235 0.78 FAAH (0.41) FAAHCYP1A2CYP2C9CYP2C19SLC6A9
SCHEMBL17996492 0.77 HTT (0.43) CYP1A2CYP2C9CYP2C19KDM4EHSD17B10
SCHEMBL26418017 0.72 CYP1A2 (0.43) FAAHCYP1A2CYP2C9CYP2C19PDK2
SCHEMBL21557578 0.72 FAAH (0.54) FAAH
SCHEMBL21982647 0.72 NPC1 (0.41) CYP1A2CYP2C9CYP2C19PDK2KCNH2
SCHEMBL31404170 0.71 FAAH (0.58) FAAH
SCHEMBL21557425 0.71 FAAH (0.58) FAAH

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 FAAH 563/4885CYP1A2 1700/4885CYP2C9 3251/4885
US-20160229830-A1 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS FOR THE TREATMENT OF DISEASES GBA1, UGCG, GBA2 FAAH 563/4885CYP1A2 1700/4885CYP2C9 3251/4885
US-10227323-B2 Glucosylceramide synthase inhibitors for the treatment of diseases GBA1, UGCG, GBA2 FAAH 563/4885CYP1A2 1700/4885CYP2C9 3251/4885
US-20190263775-A1 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS FOR THE TREATMENT OF DISEASES GBA1, UGCG, GBA2 FAAH 563/4885CYP1A2 1700/4885CYP2C9 3251/4885

“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.