SCHEMBL2171122

SCHEMBL2171122

CC(NC(=O)c1ccc(C=O)cc1)c1ccc(F)cc1

nearest known ligand 0.68

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.68
ALDH1A1 P00352 5/20 0.66
KMT2A Q03164 2/20 0.66
LMNA P02545 2/20 0.66
HTT P42858 2/20 0.56
MEN1 O00255 1/20 0.56
NR1H4 Q96RI1 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.49
HPGD P15428 1/20 0.49
ROCK2 O75116 4/20 0.48
ROCK1 Q13464 3/20 0.48
PSEN1 P49768 1/20 0.47
PSEN2 P49810 1/20 0.47
APH1B Q8WW43 1/20 0.47
NCSTN Q92542 1/20 0.47
APH1A Q96BI3 1/20 0.47
PSENEN Q9NZ42 1/20 0.47
KDM4E B2RXH2 1/20 0.46

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
SCHEMBL6174893 1.00 NPC1 (0.68) NPC1ALDH1A1KMT2ALMNAHTT
SCHEMBL2171126 1.00 NPC1 (0.68) NPC1ALDH1A1KMT2ALMNAHTT
SCHEMBL6170945 0.85 ALDH1A1 (0.68) NPC1ALDH1A1KMT2ALMNAHTT
SCHEMBL2164215 0.85 ALDH1A1 (0.68) NPC1ALDH1A1KMT2ALMNAHTT
SCHEMBL2164884 0.85 ALDH1A1 (0.68) NPC1ALDH1A1KMT2ALMNAHTT
SCHEMBL13494840 0.83 NPC1 (0.74) NPC1ALDH1A1KMT2ALMNAHTT
SCHEMBL5644953 0.81 NPC1 (0.88) NPC1ALDH1A1KMT2ALMNAHTT
SCHEMBL3241450 0.79 ALDH1A1 (0.69) NPC1ALDH1A1KMT2ALMNAHTT
SCHEMBL16005903 0.79 NPC1 (0.56) NPC1ALDH1A1KMT2ALMNAHTT
SCHEMBL17439787 0.79 NPC1 (0.56) NPC1ALDH1A1KMT2ALMNAHTT

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 4 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
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 NPC1 205/4885ALDH1A1 894/4885KMT2A 3124/4885

“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.