SCHEMBL16595193

SCHEMBL16595193

N#CC(O)c1cc2cc(Br)ccc2o1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.46
CYP2A6 P11509 1/20 0.44
GRIN1 Q05586 1/20 0.43
GRIN2A Q12879 1/20 0.43
GRIN2B Q13224 1/20 0.43
GRIN2C Q14957 1/20 0.43
GPR35 Q9HC97 1/20 0.43
MAOA P21397 1/20 0.42
ALDH1A1 P00352 4/20 0.41
USP2 O75604 2/20 0.40
HTT P42858 1/20 0.40
RAB9A P51151 5/20 0.39
NPC1 O15118 4/20 0.39
ALDH2 P05091 1/20 0.39
ALDH1A3 P47895 1/20 0.39
CA12 O43570 3/20 0.39
CA2 P00918 3/20 0.39
CA9 Q16790 3/20 0.39
CA1 P00915 2/20 0.39
LMNA P02545 1/20 0.38

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
SCHEMBL1390481 0.77 PIM1 (0.50) PIM1CYP2A6GRIN1GRIN2AGRIN2B
SCHEMBL10966536 0.73 PIM1 (0.50) PIM1CYP2A6GRIN1GRIN2AGRIN2B
SCHEMBL12248485 0.73 CYP2A6 (0.50) PIM1CYP2A6GRIN1GRIN2AGRIN2B
SCHEMBL10362747 0.72 PIM1 (0.49) PIM1CYP2A6GRIN1GRIN2AGRIN2B
SCHEMBL6014129 0.72 CYP2A6 (0.58) PIM1CYP2A6GRIN1GRIN2AGRIN2B
SCHEMBL9826669 0.70 PIM1 (0.50) PIM1CYP2A6GRIN1GRIN2AGRIN2B
SCHEMBL10363653 0.70 MEN1 (0.45) PIM1CYP2A6GRIN1GRIN2AGRIN2B
SCHEMBL16076333 0.69 CTSC (0.45) PIM1CYP2A6GRIN1GRIN2AGRIN2B
SCHEMBL16595211 0.69 ALDH1A1 (0.51) PIM1CYP2A6GRIN1GRIN2AGRIN2B
SCHEMBL10362273 0.68 CYP17A1 (0.57) PIM1CYP2A6GRIN1GRIN2AGRIN2B

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
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-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 (1 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-20160229830-A1 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS FOR THE TREATMENT OF DISEASES GBA1, UGCG, GBA2 PIM1 3801/4885CYP2A6 1882/4885GRIN1 916/4885

“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.