SCHEMBL1774709

SCHEMBL1774709

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

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.42
TRPV1 Q8NER1 1/20 0.42
ACHE P22303 2/20 0.40
MET P08581 1/20 0.40
KIT P10721 2/20 0.40
TLR9 Q9NR96 2/20 0.39
TLR7 Q9NYK1 1/20 0.39
GRM4 Q14833 1/20 0.38
GRIA1 P42261 1/20 0.38
TGFBR1 P36897 1/20 0.38
GALR3 O60755 1/20 0.38
LMNA P02545 1/20 0.38
KMT2A Q03164 1/20 0.38
CETP P11597 3/20 0.37
TACR1 P25103 1/20 0.37
NPC1 O15118 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
SCHEMBL1775701 0.91 TRPV1 (0.40) TRPA1TRPV1ACHEKITTGFBR1
SCHEMBL1775510 0.89 ACHE (0.48) ACHEKITTLR9TLR7GRIA1
SCHEMBL1774791 0.89 ACHE (0.41) ACHEKITTLR9TLR7GRIA1
SCHEMBL1774067 0.87 TRPV1 (0.40) TRPA1TRPV1ACHEKITGRIA1
SCHEMBL1774986 0.86 GRIA1 (0.41) ACHEKITTLR9TLR7GRIA1
Hydrochloric Acid SCHEMBL6428008 0.86 KIT (0.38) TRPA1TRPV1ACHEKITGRIA1
SCHEMBL1776820 0.85 MEN1 (0.47) ACHEKITTLR9TLR7GRIA1
Hydrochloric Acid SCHEMBL6426380 0.84 KIT (0.39) ACHEKITTLR9TLR7GRIA1
SCHEMBL1777001 0.84 KIT (0.42) ACHEKITTLR9TLR7LMNA
SCHEMBL1775697 0.82 MEN1 (0.48) TRPA1TRPV1ACHEMETKIT

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 TRPA1 1510/4885TRPV1 1164/4885ACHE 3068/4885

“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.