SCHEMBL2163891

SCHEMBL2163891

CCCCN(CCO)c1ccc(C=O)cc1C#N

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.46
ALDH3A1 P30838 5/20 0.46
ALDH1A3 P47895 4/20 0.46
SLC16A3 O15427 1/20 0.33
SLC16A1 P53985 1/20 0.33
GAA P10253 1/20 0.33
HTT P42858 1/20 0.33
IDO1 P14902 1/20 0.32
HPGD P15428 1/20 0.31
P4HB P07237 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
ATM Q13315 1/20 0.31

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
SCHEMBL2292105 0.85 ALDH3A1 (0.61) ALDH1A1ALDH3A1ALDH1A3
SCHEMBL21208571 0.74 PKM (0.38) IDO1
SCHEMBL12227994 0.73 ALDH1A1 (0.55) ALDH1A1ALDH3A1ALDH1A3IDO1HPGD
SCHEMBL16731702 0.73 ALDH1A3 (0.46) ALDH1A1ALDH3A1ALDH1A3GAA
SCHEMBL19594987 0.72 ALDH1A1 (0.50) ALDH1A1ALDH3A1ALDH1A3HPGDMEN1
SCHEMBL6185779 0.72 ALDH1A1 (0.45) ALDH1A1ALDH3A1ALDH1A3GAA
SCHEMBL9798478 0.71 ALDH3A1 (0.56) ALDH1A1ALDH3A1ALDH1A3HPGD
SCHEMBL11799852 0.70 GAA (0.38) ALDH1A1GAAHTTMEN1KMT2A
SCHEMBL14701207 0.70 DNM1 (0.51) ALDH1A1HTTHPGDMEN1KMT2A
SCHEMBL5860513 0.69 KDM4E (0.41) ALDH1A1GAAHTTHPGDMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1534676-B1 PIPERIDINETRIOL DERIVATIVES AS INHIBITORS OF GLYCOSYLCERAMIDE SYNTHASE ACTELION PHARMACEUTICALS LTD (CH) 2012-09-12 EP disclosed
US-7985760-B2 Piperidinetriol derivatives as inhibitors of glycosyceramid synthase ACTELION PHARMACEUTICALS LTD. (CH) 2011-07-26 US disclosed
US-20060058349-A1 Piperidinetriol derivatives as inhibitors of glycosyceramid synthase OXFORD GLYCOSCIENCES(UK) LTD (GB) 2006-03-16 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 (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-20060058349-A1 Piperidinetriol derivatives as inhibitors of glycosyceramid synthase CERS2, UGCG, GBA1 ALDH1A1 894/4885ALDH3A1 558/4885ALDH1A3 1209/4885

“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.