SCHEMBL5713797

SCHEMBL5713797

CC(C)(C)c1ccc2c(c1)[CH]CCN2CCO

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.33
ALOX15 P16050 3/20 0.33
HSD17B10 Q99714 2/20 0.33
KDM4E B2RXH2 4/20 0.33
HRH3 Q9Y5N1 1/20 0.33
HPGD P15428 3/20 0.32
POLB P06746 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
HTT P42858 2/20 0.32
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
RECQL P46063 1/20 0.32
TSHR P16473 2/20 0.31
LMNA P02545 2/20 0.31
GAA P10253 2/20 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
SCHEMBL6328484 0.80 LMNA (0.33) ALDH1A1KDM4EHRH3SMN1; SMN2KMT2A
SCHEMBL5714333 0.79 NR1H3 (0.36) ALDH1A1ALOX15HSD17B10KDM4EHRH3
SCHEMBL25037450 0.74 RORC (0.41) ALDH1A1ALOX15HSD17B10KDM4EHPGD
SCHEMBL25039105 0.73 ALDH1A1 (0.44) ALDH1A1KDM4EHRH3POLBKMT2A
SCHEMBL5713665 0.72 NOTUM (0.46) ALDH1A1SMN1; SMN2HTTMEN1KMT2A
SCHEMBL27071709 0.63 BMPR1B (0.47) ALDH1A1ALOX15HSD17B10POLBSMN1; SMN2
SCHEMBL13386729 0.63 ATAD2 (0.47) ALDH1A1
SCHEMBL25362265 0.63 ALDH1A1 (0.40) ALDH1A1ALOX15HSD17B10KDM4EHPGD
SCHEMBL26188633 0.63 ALDH1A1 (0.40) ALDH1A1ALOX15HSD17B10KDM4EHPGD
SCHEMBL23510578 0.62 NR1H3 (0.39) ALDH1A1ALOX15HSD17B10KDM4EHRH3

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 ALDH1A1 2677/4885ALOX15 2229/4885HSD17B10 1646/4885

“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.