SCHEMBL2292105

SCHEMBL2292105

CCCN(CCC)c1ccc(C=O)cc1C#N

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH3A1 P30838 5/20 0.61
ALDH1A1 P00352 5/20 0.61
ALDH1A3 P47895 4/20 0.61
AR P10275 1/20 0.36
TSHR P16473 1/20 0.34
HCAR3 P49019 1/20 0.33
FDPS P14324 1/20 0.33
MAPT P10636 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CRHR1 P34998 1/20 0.32

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
SCHEMBL2163891 0.85 ALDH1A1 (0.46) ALDH3A1ALDH1A1ALDH1A3
SCHEMBL16731702 0.80 ALDH1A3 (0.46) ALDH3A1ALDH1A1ALDH1A3TSHRFDPS
SCHEMBL6185779 0.79 ALDH1A1 (0.45) ALDH3A1ALDH1A1ALDH1A3TSHRFDPS
SCHEMBL13630983 0.74 ALDH1A1 (0.40) ALDH3A1ALDH1A1ALDH1A3TSHRFDPS
SCHEMBL20133582 0.72 TSHR (0.42) ALDH3A1ALDH1A1ALDH1A3ARTSHR
SCHEMBL6899726 0.70 ALDH1A1 (0.47) ALDH1A1TSHRFDPS
SCHEMBL13571237 0.70 ALDH1A1 (0.39) ALDH3A1ALDH1A1ALDH1A3ARTSHR
SCHEMBL13571069 0.70 ALDH1A1 (0.37) ALDH3A1ALDH1A1ALDH1A3ARTSHR
SCHEMBL13123327 0.70 ALDH1A3 (0.43) ALDH3A1ALDH1A1ALDH1A3TSHRMAPT
SCHEMBL177342 0.70 FDPS (0.54) ALDH1A1ARTSHRFDPSMAPT

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-1554245-B1 PIPERIDINETRIOL DERIVATIVES AS INHIBITORS OF GLYCOSYLCERAMIDSYNTHASE ACTELION PHARMACEUTICALS LTD (CH) 2012-09-26 EP disclosed
US-7994198-B2 Piperidinetriol derivatives as inhibitors of glycosylceramidsynthase ACTELION PHARMACEUTICALS LTD. (CH) 2011-08-09 US disclosed
US-20060111400-A1 Piperidinetriol derivatives as inhibitors of glycosylceramidsynthase OXFORD GLYCOSCIENCES (UK) LTD (GB) 2006-05-25 US disclosed
EP-1554245-A1 PIPERIDINETRIOL DERIVATIVES AS INHIBITORS OF GLYCOSYLCERAMIDSYNTHASE Oxford GlycoSciences (UK) Ltd (GB) 2005-07-20 EP disclosed
WO-2004007454-A1 PIPERIDINETRIOL DERIVATIVES AS INHIBITORS OF GLYCOSYLCERAMIDSYNTHASE OXFORD GLYCOSCIENCES (UK) LTD (GB) 2004-01-22 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-20060111400-A1 Piperidinetriol derivatives as inhibitors of glycosylceramidsynthase GBA1, UGCG, CERS2 ALDH3A1 678/4885ALDH1A1 790/4885ALDH1A3 1437/4885

“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.