SCHEMBL14850693

SCHEMBL14850693

CN1CCN(C(=O)[C@@H](CNC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)CC1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.41
HRH2 P25021 4/20 0.41
HRH1 P35367 4/20 0.41
CTSS P25774 3/20 0.41
CTSK P43235 3/20 0.41
CTSL P07711 1/20 0.41
CTSB P07858 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
ITGB3 P05106 5/20 0.40
ITGA2B P08514 5/20 0.40
KMT2A Q03164 1/20 0.40
TGM2 P21980 1/20 0.39
MAPK1 P28482 1/20 0.39
CAPN1 P07384 1/20 0.39

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
SCHEMBL16435346 0.94 CTSS (0.45) TSHRHRH2HRH1CTSSCTSK
SCHEMBL6423547 0.92 TSHR (0.38) TSHRHRH2HRH1CTSSCTSK
SCHEMBL14850788 0.90 ITGB3 (0.45) TSHRCTSSCTSKCTSLCTSB
SCHEMBL14850864 0.89 ITGB3 (0.46) TSHRCTSSCTSKCTSLCTSB
SCHEMBL14850855 0.88 ITGB3 (0.47) TSHRCTSSCTSKCTSLCTSB
SCHEMBL14850692 0.88 ITGB3 (0.47) TSHRCTSSCTSKCTSLCTSB
SCHEMBL16435373 0.87 HRH2 (0.47) TSHRHRH2HRH1CTSSCTSK
SCHEMBL2801270 0.86 HRH2 (0.52) TSHRHRH2HRH1CTSSCTSK
SCHEMBL22338678 0.86 CTSK (0.48) TSHRHRH2HRH1CTSSCTSK
SCHEMBL3784011 0.86 HRH2 (0.52) TSHRHRH2HRH1CTSSCTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150038493-A1 COMPOUNDS THAT TRAP ALPHA-OXOALDEHYDES AND ALPHA-BETA-UNSATURATED ALDEHYDES, META-COMPOUNDS CONTAINING SUCH COMPOUNDS, AND USE OF SAID COMPOUNDS IN TREATING ILLNESSES RELATED TO THE ACCUMULATION OF AGES AND ALES PHARMAMENS (FR) 2015-02-05 US disclosed
WO-2013050721-A1 COMPOUNDS THAT TRAP ALPHA-OXOALDEHYDES AND ALPHA-BETA-UNSATURATED ALDEHYDES, META-COMPOUNDS CONTAINING SUCH COMPOUNDS, AND USE OF SAID COMPOUNDS IN TREATING ILLNESSES RELATED TO THE ACCUMULATION OF AGES AND ALES PHARMAMENS (FR) 2013-04-11 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-20150038493-A1 COMPOUNDS THAT TRAP ALPHA-OXOALDEHYDES AND ALPHA-BETA-UNSATURATED ALDEHYDES, META-COMPOUNDS CONTAINING SUCH COMPOUNDS, AND USE OF SAID COMPOUNDS IN TREATING ILLNESSES RELATED TO THE ACCUMULATION OF AGES AND ALES AOX1, TYR, HAO1 TSHR 2845/4885HRH2 445/4885HRH1 351/4885

“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.