SCHEMBL1776376

SCHEMBL1776376

CC(C)(C)OC(=O)N1CCCN(c2ccnc3ccc(Br)cc23)CC1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 1/20 0.52
BACE1 P56817 4/20 0.47
CKS1B P61024 1/20 0.46
SKP1 P63208 1/20 0.46
SKP2 Q13309 1/20 0.46
IDE P14735 2/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
PDE10A Q9Y233 1/20 0.43
MAP4K4 O95819 1/20 0.43
CDK8 P49336 2/20 0.43
CLK1 P49759 1/20 0.43
ACHE P22303 1/20 0.41
GPR119 Q8TDV5 1/20 0.41
KIT P10721 1/20 0.41
POLB P06746 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
SCHEMBL1775346 0.96 NCF1 (0.56) NCF1BACE1CKS1BSKP1SKP2
SCHEMBL1776295 0.85 NCF1 (0.58) NCF1IDEMEN1KMT2ACDK8
SCHEMBL7467892 0.83 MAP4K4 (0.51) CKS1BSKP1SKP2IDEMEN1
SCHEMBL30495380 0.83 IDO1 (0.53) IDEMEN1KMT2AMAP4K4CLK1
SCHEMBL17729235 0.83 IDO1 (0.53) IDEMEN1KMT2AMAP4K4CLK1
SCHEMBL12601535 0.82 PDE10A (0.51) BACE1CKS1BSKP1SKP2MEN1
SCHEMBL11963375 0.81 CKS1B (0.55) BACE1CKS1BSKP1SKP2MEN1
SCHEMBL1299882 0.81 IDE (0.47) NCF1CKS1BSKP1SKP2IDE
SCHEMBL1300018 0.81 IDE (0.50) IDEMEN1KMT2AMAP4K4CDK8
SCHEMBL22715673 0.80 NCF1 (0.76) NCF1CDK8

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-1897876-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 NCF1 3776/4885BACE1 1765/4885CKS1B 2454/4885

“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.