SCHEMBL1774791

SCHEMBL1774791

CC(C)(C)OC(=O)N1CCN(c2nccc3sc(S(=O)(=O)Cc4cccc(Br)c4)cc23)CC1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.41
KIT P10721 2/20 0.41
TLR9 Q9NR96 3/20 0.40
TLR7 Q9NYK1 2/20 0.40
BACE1 P56817 2/20 0.39
GRIA1 P42261 2/20 0.39
GPR119 Q8TDV5 5/20 0.37
ALK Q9UM73 1/20 0.37
GBA1 P04062 2/20 0.37
DTYMK P23919 1/20 0.36

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
Hydrochloric Acid SCHEMBL6426380 0.95 KIT (0.39) ACHEKITTLR9TLR7BACE1
SCHEMBL1775510 0.91 ACHE (0.48) ACHEKITTLR9TLR7GRIA1
SCHEMBL1774709 0.89 TRPA1 (0.42) ACHEKITTLR9TLR7GRIA1
SCHEMBL1777439 0.88 P2RY12 (0.35)
SCHEMBL1776820 0.87 MEN1 (0.47) ACHEKITTLR9TLR7GRIA1
SCHEMBL1774986 0.86 GRIA1 (0.41) ACHEKITTLR9TLR7GRIA1
SCHEMBL1777001 0.85 KIT (0.42) ACHEKITTLR9TLR7GPR119
SCHEMBL1775701 0.85 TRPV1 (0.40) ACHEKITGPR119
SCHEMBL1775983 0.81 HTR2C (0.42)
SCHEMBL1774782 0.81 SLC6A7 (0.34)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7943639-B2 Such as 6-benzenesulfonyl-4-piperazin-1-yl-quinoline hydrochloride; for treatment of central nervous system and/or 5- HT6 receptor related disorders; for weight gain/loss PROXIMAGEN LIMITED (GB) 2011-05-17 US disclosed
EP-1897881-A2 Compounds useful for the treatment of obesity, type II diabetes and CNS disorders Biovitrum AB (publ) (SE) 2008-03-12 EP disclosed
EP-1513828-A1 NEW COMPOUNDS USEFUL FOR THE TREATMENT OF OBESITY, TYPE II DIABETES AND CNS DISORDERS Biovitrum AB (SE) 2005-03-16 EP disclosed
US-20040024210-A1 New compounds PROXIMAGEN NEUROSCIENCE PLC (GB) 2004-02-05 US disclosed
WO-2004000828-A1 NEW COMPOUNDS USEFUL FOR THE TREATMENT OF OBESITY, TYPE II DIABETES AND CNS DISORDERS BIOVITRUM AB (SE) 2003-12-31 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-20040024210-A1 New compounds SULT1E1, SULT2A1, SULT1A1 ACHE 3068/4885KIT 4787/4885TLR9 3686/4885

“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.