SCHEMBL1776231

SCHEMBL1776231

O=C(O)N1CCN(c2nccc3sc(S(=O)(=O)Cc4ccc(F)c(F)c4)cc23)CC1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 4/20 0.40
AKT2 P31751 1/20 0.40
AKT3 Q9Y243 1/20 0.40
P2RY12 Q9H244 3/20 0.36
GRM4 Q14833 1/20 0.36
KCNH2 Q12809 1/20 0.35
ABCC1 P33527 3/20 0.33
CYP3A4 P08684 2/20 0.33
ALDH1A1 P00352 2/20 0.33
KIT P10721 2/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 1/20 0.32
DPP4 P27487 1/20 0.32
DPP7 Q9UHL4 1/20 0.32

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
SCHEMBL1774986 0.88 GRIA1 (0.41) AKT1AKT2AKT3KITMEN1
SCHEMBL1776952 0.87 P2RY12 (0.41) AKT1AKT2AKT3P2RY12ALDH1A1
SCHEMBL1775123 0.87 ALDH1A1 (0.42) AKT1AKT2AKT3P2RY12ALDH1A1
SCHEMBL1776477 0.86 AKT1 (0.40) AKT1AKT2AKT3KITKMT2A
SCHEMBL1777439 0.84 P2RY12 (0.35) P2RY12ALDH1A1MEN1KMT2A
SCHEMBL6384608 0.84 TRPA1 (0.36) AKT1AKT2AKT3P2RY12GRM4
SCHEMBL1776197 0.82 AKT1 (0.41) AKT1AKT2AKT3ALDH1A1KIT
SCHEMBL1775350 0.79 TRPA1 (0.39)
SCHEMBL1775510 0.76 ACHE (0.48) KIT
SCHEMBL1776820 0.76 MEN1 (0.47) ALDH1A1KITMEN1KMT2A

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 AKT1 4344/4885AKT2 3481/4885AKT3 3087/4885

“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.