SCHEMBL1776295

SCHEMBL1776295

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

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 1/20 0.58
SLC22A12 Q96S37 3/20 0.45
CDK8 P49336 2/20 0.45
CLK1 P49759 1/20 0.45
PDGFRB P09619 2/20 0.44
CCR5 P51681 1/20 0.44
IDE P14735 3/20 0.43
MAPK1 P28482 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
MAPT P10636 1/20 0.43
STAT3 P40763 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ALDH1A1 P00352 1/20 0.43
DPP4 P27487 1/20 0.43

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
SCHEMBL1777402 0.95 NCF1 (0.64) NCF1SLC22A12CLK1PDGFRBCCR5
SCHEMBL29472100 0.86 NCF1 (0.76) NCF1SLC22A12CDK8ALDH1A1
SCHEMBL22715673 0.86 NCF1 (0.76) NCF1SLC22A12CDK8ALDH1A1
SCHEMBL1776376 0.85 NCF1 (0.52) NCF1CDK8CLK1IDEMEN1
SCHEMBL731691 0.82 NCF1 (0.74) NCF1SLC22A12MAPTALDH1A1
SCHEMBL3846343 0.81 NCF1 (0.58) NCF1CDK8CLK1CCR5IDE
SCHEMBL17729204 0.80 MAPK1 (0.52) NCF1SLC22A12CLK1PDGFRBCCR5
SCHEMBL1775346 0.79 NCF1 (0.56) NCF1CLK1PDGFRBCCR5IDE
SCHEMBL1775392 0.79 HCAR2 (0.43) PDGFRBMAPK1MEN1KMT2AMAPT
SCHEMBL3845241 0.78 NCF1 (0.61) NCF1SLC22A12IDEMAPK1KMT2A

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 3776/4885SLC22A12 878/4885CDK8 4134/4885

“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.