SCHEMBL354415

SCHEMBL354415

NC(CC(=O)O)C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC22A2 O15244 1/20 0.43
SLC47A1 Q96FL8 1/20 0.43
ALDH1A1 P00352 4/20 0.43
ALOX15 P16050 1/20 0.43
MAPT P10636 1/20 0.42
NPC1 O15118 1/20 0.42
DPP4 P27487 6/20 0.41
THRB P10828 1/20 0.38
CYP2C9 P11712 1/20 0.38
TSHR P16473 1/20 0.37
POLB P06746 1/20 0.37
KDM4E B2RXH2 1/20 0.37
HTT P42858 1/20 0.37
EPHX2 P34913 1/20 0.37

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
SCHEMBL28310832 0.81 KDM4E (0.42) SLC22A2SLC47A1ALDH1A1ALOX15MAPT
SCHEMBL18135491 0.78 MEN1 (0.43) SLC22A2SLC47A1ALDH1A1ALOX15NPC1
SCHEMBL9619395 0.76 ALDH1A1 (0.38) SLC22A2SLC47A1ALDH1A1ALOX15NPC1
SCHEMBL8097536 0.76 ALDH1A1 (0.46) SLC22A2SLC47A1ALDH1A1MAPTNPC1
SCHEMBL4136810 0.76 ALDH1A1 (0.40) ALDH1A1ALOX15NPC1TSHRKDM4E
SCHEMBL5301476 0.74 SLC22A2 (0.50) SLC22A2SLC47A1ALDH1A1ALOX15MAPT
SCHEMBL4946866 0.74 SLC22A2 (0.50) SLC22A2SLC47A1ALDH1A1ALOX15MAPT
Rimantadine SCHEMBL9091299 0.73 SLC22A2 (0.67) SLC22A2SLC47A1ALDH1A1ALOX15MAPT
SCHEMBL23460047 0.72 DPP4 (0.49) SLC22A2SLC47A1ALDH1A1ALOX15MAPT
SCHEMBL255570 0.72 DPP4 (0.49) SLC22A2SLC47A1ALDH1A1ALOX15MAPT

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 9 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-8835654-B2 Method and compositions for treating amyloid-related diseases BHI LIMITED PARTNERSHIP (CA) 2014-09-16 US disclosed
US-20120015911-A1 METHOD AND COMPOSITIONS FOR TREATING AMYLOID-RELATED DISEASES BELLUS HEALTH INC. (CA) 2012-01-19 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
WO-2004089362-A1 2-CYANOPYRROLES AND THEIR ANALOGUES AS DDP-IV INHIBITORS NOVO NORDISK A/S (DK) 2004-10-21 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 (3 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 125/4885ALDH1A1 2230/4885
US-20140329746-A1 METHODS AND COMPOSITIONS FOR TREATING AMYLOID-RELATED DISEASES APP, PSEN1, PSEN2 SLC22A2 1306/4885SLC47A1 470/4885ALDH1A1 2989/4885
US-20120015911-A1 METHOD AND COMPOSITIONS FOR TREATING AMYLOID-RELATED DISEASES APP, PSEN1, PSEN2 SLC22A2 1455/4885SLC47A1 487/4885ALDH1A1 3131/4885

“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.