SCHEMBL2164159

SCHEMBL2164159

O=Cc1ccc(C(=O)N2CCCc3ccccc32)cc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.66
TSHR P16473 3/20 0.66
AVPR2 P30518 8/20 0.65
AVPR1A P37288 6/20 0.65
OXTR P30559 2/20 0.65
CA1 P00915 1/20 0.64
CA2 P00918 1/20 0.64
CA7 P43166 1/20 0.64
CA9 Q16790 1/20 0.64
CA14 Q9ULX7 1/20 0.64
LMNA P02545 2/20 0.62
HPGD P15428 2/20 0.62
MAPK1 P28482 1/20 0.62
KMT2A Q03164 2/20 0.61
KDM4E B2RXH2 1/20 0.61
MEN1 O00255 1/20 0.61
GAA P10253 1/20 0.61
ALOX15 P16050 1/20 0.61
CASP1 P29466 1/20 0.61
RECQL P46063 1/20 0.61

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
SCHEMBL7351064 0.89 MEN1 (0.66) KMT2AMEN1
SCHEMBL7348349 0.85 AVPR2 (0.76) ALDH1A1TSHRAVPR2AVPR1AOXTR
SCHEMBL29463754 0.85 ALDH1A1 (0.81) ALDH1A1TSHRAVPR2AVPR1AOXTR
SCHEMBL6198498 0.85 ALDH1A1 (0.81) ALDH1A1TSHRAVPR2AVPR1AOXTR
SCHEMBL4493929 0.84 ALDH1A1 (0.71) ALDH1A1TSHRAVPR2AVPR1AOXTR
SCHEMBL7349843 0.83 AVPR2 (0.72) ALDH1A1TSHRAVPR2AVPR1AOXTR
SCHEMBL6965406 0.83 AVPR2 (0.92) ALDH1A1TSHRAVPR2AVPR1AOXTR
SCHEMBL3456488 0.83 HPGD (0.83) ALDH1A1TSHRAVPR2AVPR1AOXTR
SCHEMBL31680509 0.80 HPGD (0.90) ALDH1A1AVPR2AVPR1AOXTRHPGD
SCHEMBL3136427 0.80 POLB (0.73) ALDH1A1TSHRAVPR2AVPR1AOXTR

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-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
EP-1534676-A1 PIPERIDINETRIOL DERIVATIVES AS INHIBITORS OF GLYCOSYLCERAMIDE SYNTHASE Oxford GlycoSciences (UK) Limited (GB) 2005-06-01 EP disclosed
WO-2004007453-A1 PIPERIDINETRIOL DERIVATIVES AS INHIBITORS OF GLYCOSYLCERAMIDE SYNTHASE 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-20060058349-A1 Piperidinetriol derivatives as inhibitors of glycosyceramid synthase CERS2, UGCG, GBA1 ALDH1A1 894/4885TSHR 3068/4885AVPR2 4446/4885

“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.