SCHEMBL354292

SCHEMBL354292

CC(C)(N)c1cc2ccccc2s1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 4/20 0.48
ASIC3 Q9UHC3 1/20 0.48
LOXL2 Q9Y4K0 1/20 0.48
MGLL Q99685 1/20 0.48
CA2 P00918 1/20 0.46
APP P05067 2/20 0.44
AGXT P21549 1/20 0.44
ADRB2 P07550 1/20 0.44
BCL2L1 Q07817 1/20 0.42
SIGMAR1 Q99720 3/20 0.42
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HDAC9 Q9UKV0 1/20 0.40

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
SCHEMBL820486 0.84 MGLL (0.50) CYP2A6ASIC3LOXL2MGLLCA2
SCHEMBL16009726 0.81 MGLL (0.52) CYP2A6ASIC3LOXL2MGLLCA2
SCHEMBL2387149 0.81 MGLL (0.47) CYP2A6ASIC3LOXL2MGLLCA2
SCHEMBL34471557 0.79 HDAC3 (0.46) CYP2A6APPHDAC3HDAC4HDAC1
SCHEMBL28019294 0.79 MGLL (0.50) CYP2A6ASIC3LOXL2MGLLCA2
SCHEMBL2387733 0.78 CYP2A6 (0.44) CYP2A6ASIC3LOXL2MGLLCA2
SCHEMBL12778749 0.78 MGLL (0.44) CYP2A6ASIC3LOXL2MGLLCA2
SCHEMBL2388308 0.78 MGLL (0.44) CYP2A6ASIC3LOXL2MGLLCA2
SCHEMBL21646058 0.77 BCL2L1 (0.51) CYP2A6ASIC3LOXL2MGLLCA2
SCHEMBL6207718 0.77 BCL2L1 (0.51) CYP2A6ASIC3LOXL2MGLLCA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
CN-101128421-A Methods and compositions for treating amyloid-related diseases NEUROCHEM INTERNAT LTD (CH) 2008-02-20 CN 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 (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 CYP2A6 3307/4885ASIC3 3420/4885LOXL2 2412/4885
US-20140329746-A1 METHODS AND COMPOSITIONS FOR TREATING AMYLOID-RELATED DISEASES APP, PSEN1, PSEN2 CYP2A6 2734/4885ASIC3 2709/4885LOXL2 1140/4885
US-20120015911-A1 METHOD AND COMPOSITIONS FOR TREATING AMYLOID-RELATED DISEASES APP, PSEN1, PSEN2 CYP2A6 1807/4885ASIC3 2656/4885LOXL2 1351/4885

“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.