SCHEMBL1774609

SCHEMBL1774609

CC(C)(C)OC(=O)N1CCN(c2nccc3[nH]ccc23)CC1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KIT P10721 2/20 0.51
GRIA1 P42261 1/20 0.45
JAK3 P52333 3/20 0.45
JAK1 P23458 2/20 0.45
GBA1 P04062 2/20 0.45
JAK2 O60674 1/20 0.45
TYK2 P29597 1/20 0.45
ACHE P22303 2/20 0.44
GPR119 Q8TDV5 3/20 0.44
POLB P06746 1/20 0.44
CKS1B P61024 1/20 0.43
SKP1 P63208 1/20 0.43
SKP2 Q13309 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
DDB1 Q16531 1/20 0.43
CRBN Q96SW2 1/20 0.43
PDE10A Q9Y233 1/20 0.42

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
SCHEMBL5068821 0.83 KIT (0.51) KITGRIA1GBA1ACHEGPR119
SCHEMBL6427484 0.82 ACHE (0.46) KITGRIA1GBA1ACHECKS1B
SCHEMBL28367516 0.81 KIT (0.64) KITJAK3JAK1
SCHEMBL30945074 0.81 KIT (0.64) KITJAK3JAK1
SCHEMBL5762899 0.81 ACHE (0.47) KITGRIA1GBA1ACHEGPR119
SCHEMBL1773779 0.81 KIT (0.48) KITJAK3MAPT
SCHEMBL4934159 0.80 JAK1 (0.53) KITJAK3JAK1JAK2TYK2
SCHEMBL30885791 0.80 GAA (0.60) MAPT
SCHEMBL1537795 0.80 GAA (0.60) MAPT
SCHEMBL1255986 0.79 ACHE (0.59) KITGRIA1GBA1ACHEGPR119

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 KIT 4787/4885GRIA1 884/4885JAK3 1244/4885

“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.