SCHEMBL2536293

SCHEMBL2536293

NC(CCO)C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC22A2 O15244 2/20 0.46
SLC47A1 Q96FL8 2/20 0.46
MAPT P10636 1/20 0.45
ALDH1A1 P00352 2/20 0.36
NPC1 O15118 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
DPP4 P27487 7/20 0.36
GRIN2D O15399 2/20 0.34
GRIN3B O60391 2/20 0.34
GRIN1 Q05586 2/20 0.34
GRIN2A Q12879 2/20 0.34
GRIN2B Q13224 2/20 0.34
GRIN2C Q14957 2/20 0.34
GRIN3A Q8TCU5 2/20 0.34
ALOX15 P16050 1/20 0.34
FAP Q12884 1/20 0.34
PITRM1 Q5JRX3 1/20 0.34

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
SCHEMBL4946866 0.82 SLC22A2 (0.50) SLC22A2SLC47A1MAPTALDH1A1NPC1
SCHEMBL5301476 0.82 SLC22A2 (0.50) SLC22A2SLC47A1MAPTALDH1A1NPC1
SCHEMBL353492 0.78 SLC22A2 (0.46) SLC22A2SLC47A1MAPTALDH1A1NPC1
SCHEMBL660251 0.78 SLC22A2 (0.52) SLC22A2SLC47A1MAPTALDH1A1NPC1
SCHEMBL6346242 0.77 SLC22A2 (0.39) SLC22A2SLC47A1MAPTALDH1A1NPC1
Hydrochloric Acid SCHEMBL1677957 0.77 MAPT (0.54) SLC22A2SLC47A1MAPTALDH1A1NPC1
SCHEMBL28310832 0.76 KDM4E (0.42) SLC22A2SLC47A1MAPTALDH1A1NPC1
SCHEMBL25345753 0.75 GRIN2D (0.48) SLC22A2SLC47A1MAPTDPP4GRIN2D
SCHEMBL658279 0.75 SLC22A2 (0.48) SLC22A2SLC47A1MAPTALDH1A1NPC1
SCHEMBL353185 0.75 SLC22A2 (0.39) SLC22A2SLC47A1MAPTALDH1A1NPC1

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-1836161-B1 METHODS AND COMPOSITIONS FOR TREATING AMYLOID-RELATED DISEASES BHI LTD PARTNERSHIP (CA) 2016-07-20 EP disclosed
US-20140329746-A1 METHODS AND COMPOSITIONS FOR TREATING AMYLOID-RELATED DISEASES NEUROCHEM (INTERNATIONAL) LIMITED (CH) 2014-11-06 US disclosed
US-8044100-B2 Methods and compositions for treating amyloid-related diseases BELLUS HEALTH INC. (CA) 2011-10-25 US disclosed
EP-1836161-A2 METHODS AND COMPOSITIONS FOR TREATING AMYLOID-RELATED DISEASES Neurochem (International) Limited (CH) 2007-09-26 EP disclosed
US-20060223855-A1 reduces or inhibits amyloid fibril formation, organ specific dysfunction (e.g., neurodegeneration), or cellular toxicity NEUROCHEM (INTERNATIONAL) LIMITED (CH) 2006-10-05 US disclosed
WO-2006085149-A2 METHODS AND COMPOSITIONS FOR TREATING AMYLOID-RELATED DISEASES NEUROCHEM (INTERNATIONAL) LIMITED (CH) 2006-08-17 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 (2 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-20060223855-A1 reduces or inhibits amyloid fibril formation, organ specific dysfunction (e.g., neurodegeneration), or cellular toxicity APP, IAPP, BACE1 SLC22A2 2158/4885SLC47A1 125/4885MAPT 12/4885
US-20140329746-A1 METHODS AND COMPOSITIONS FOR TREATING AMYLOID-RELATED DISEASES APP, PSEN1, PSEN2 SLC22A2 1306/4885SLC47A1 470/4885MAPT 14/4885

“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.