SCHEMBL5714522

SCHEMBL5714522

CC(C)c1ccc2c(c1)[CH]CC(O)N2

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.34
PTGS1 P23219 1/20 0.34
CACNA1C Q13936 1/20 0.34
HPGD P15428 4/20 0.33
GAA P10253 4/20 0.33
ALDH1A1 P00352 3/20 0.33
HTT P42858 3/20 0.33
LMNA P02545 3/20 0.33
KDM4E B2RXH2 2/20 0.33
ALOX12 P18054 1/20 0.33
HIF1A Q16665 1/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
KIF11 P52732 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
GFER P55789 1/20 0.32
HSD17B10 Q99714 1/20 0.32
RNASEH1 O60930 1/20 0.32
TYR P14679 1/20 0.31
TSHR P16473 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
SCHEMBL5714055 0.78 GABRA1 (0.38) PTGS1HPGDALDH1A1LMNAKDM4E
SCHEMBL23436282 0.75 CHRNB2 (0.40) TRPA1PTGS1CACNA1CHPGDGAA
SCHEMBL21102635 0.72 CHRNB2 (0.38) TRPA1PTGS1CACNA1CHPGDGAA
SCHEMBL5713854 0.69 RNASEH1 (0.34) TRPA1PTGS1CACNA1CHPGDGAA
SCHEMBL23712389 0.68 KIF11 (0.40) HPGDGAAALDH1A1HTTLMNA
SCHEMBL21984619 0.67 NPSR1 (0.35) TRPA1PTGS1CACNA1CHPGDGAA
SCHEMBL5714163 0.67 HPGD (0.41) HPGDALDH1A1HTTLMNAMAPT
SCHEMBL23483765 0.66 CHRNB2 (0.35) TRPA1PTGS1CACNA1CHPGDGAA
SCHEMBL18418045 0.65 GAA (0.39) TRPA1PTGS1CACNA1CHPGDGAA
SCHEMBL5713615 0.64 ALDH1A1 (0.34) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1734961-A2 METHODS OF TREATMENT OF AMYLOIDOSIS USING BI-CYCLIC ASPARTYL PROTEASE INHIBITORS ELAN PHARMACEUTICALS, INC. (US) 2006-12-27 EP claimed
US-20050239832-A1 Methods of treatment of amyloidosis using bi-cyclic aspartyl protease inhibitors ELAN PHARMACEUTICALS, INC. 2005-10-27 US claimed
WO-2005087714-A2 METHODS OF TREATMENT OF AMYLOIDOSIS USING BI-CYCLIC ASPARTYL PROTEASE INHIBITORS ELAN PHARMACEUTICALS, INC. (US) 2005-09-22 WO claimed
EP-1734961-A2 METHODS OF TREATMENT OF AMYLOIDOSIS USING BI-CYCLIC ASPARTYL PROTEASE INHIBITORS ELAN PHARMACEUTICALS, INC. (US) 2006-12-27 EP disclosed
US-20050239832-A1 Methods of treatment of amyloidosis using bi-cyclic aspartyl protease inhibitors ELAN PHARMACEUTICALS, INC. 2005-10-27 US disclosed
WO-2005087714-A2 METHODS OF TREATMENT OF AMYLOIDOSIS USING BI-CYCLIC ASPARTYL PROTEASE INHIBITORS ELAN PHARMACEUTICALS, INC. (US) 2005-09-22 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-20050239832-A1 Methods of treatment of amyloidosis using bi-cyclic aspartyl protease inhibitors APP, DNPEP, BACE1 TRPA1 4750/4885PTGS1 3947/4885CACNA1C 3618/4885

“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.