SCHEMBL19862022

SCHEMBL19862022

CC1=NCCc2cc(-c3ccc(F)cc3)ccc21

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK10 P53779 1/20 0.46
CYP3A4 P08684 6/20 0.46
CYP11B2 P19099 4/20 0.46
MAOA P21397 4/20 0.45
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
GAA P10253 1/20 0.45
MAPT P10636 1/20 0.45
CYP17A1 P05093 5/20 0.40
CYP11B1 P15538 1/20 0.40
HRH3 Q9Y5N1 5/20 0.39
KCNH2 Q12809 1/20 0.39
DHODH Q02127 1/20 0.37

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
SCHEMBL1009901 0.86 MAOA (0.50) MAPK10CYP11B2MAOAKDM4EALDH1A1
SCHEMBL1010472 0.76 MAOA (0.50) MAPK10MAOAKDM4EALDH1A1GAA
SCHEMBL30656741 0.76 MAOA (0.50) MAPK10MAOAKDM4EALDH1A1GAA
SCHEMBL18070222 0.76 UGCG (0.45) MAPK10CYP3A4CYP11B2HRH3DHODH
SCHEMBL2616773 0.75 MAOA (0.53) MAPK10CYP3A4MAOAKDM4EALDH1A1
SCHEMBL18070225 0.75 UGCG (0.47) MAPK10KDM4EALDH1A1MAPT
SCHEMBL19862027 0.73 CYP3A4 (0.40) CYP3A4CYP11B2MAPTCYP17A1CYP11B1
SCHEMBL12283552 0.73 MAOA (0.50) MAPK10CYP3A4MAOAKDM4EALDH1A1
SCHEMBL31164726 0.73 MAOA (0.50) MAPK10CYP11B2MAOAKDM4EALDH1A1
SCHEMBL1010625 0.73 MAOA (0.50) MAPK10CYP11B2MAOAKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10759769-B2 Glucosylceramide synthase inhibitors for the treatment of diseases BIOMARIN PHARMECEUTICAL INC (US) 2020-09-01 US disclosed
US-20190248754-A1 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS FOR THE TREATMENT OF DISEASES BIOMARIN PHARMECEUTICAL INC (US) 2019-08-15 US disclosed
US-10227312-B2 Glucosylceramide synthase inhibitors for the treatment of diseases BIOMARIN PHARMACEUTICAL INC. (US) 2019-03-12 US disclosed
US-20180044302-A1 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS FOR THE TREATMENT OF DISEASES BIOMARIN PHARMACEUTICAL INC. 2018-02-15 US disclosed
US-20180044302-A1 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS FOR THE TREATMENT OF DISEASES BIOMARIN PHARMACEUTICAL INC. 2018-02-15 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 (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-10759769-B2 Glucosylceramide synthase inhibitors for the treatment of diseases GBA1, UGCG, GBA2 MAPK10 2650/4885CYP3A4 3339/4885CYP11B2 1270/4885
US-20180044302-A1 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS FOR THE TREATMENT OF DISEASES GBA1, UGCG, GBA2 MAPK10 2650/4885CYP3A4 3339/4885CYP11B2 1270/4885
US-20190248754-A1 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS FOR THE TREATMENT OF DISEASES GBA1, UGCG, GBA2 MAPK10 2650/4885CYP3A4 3339/4885CYP11B2 1270/4885
US-10227312-B2 Glucosylceramide synthase inhibitors for the treatment of diseases GBA1, UGCG, GBA2 MAPK10 2650/4885CYP3A4 3339/4885CYP11B2 1270/4885

“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.