SCHEMBL1775231

SCHEMBL1775231

CC(C)(C)c1ccccc1Sc1ccc2ccnc(N3CCCN(C(=O)O)CC3)c2c1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.39
HTR1D P28221 2/20 0.39
HTR1B P28222 2/20 0.39
ITGB2 P05107 2/20 0.39
ICAM1 P05362 2/20 0.39
ITGAL P20701 2/20 0.39
HCAR2 Q8TDS4 1/20 0.38
HRH4 Q9H3N8 1/20 0.36
CNR2 P34972 1/20 0.36
RBP4 P02753 2/20 0.36
PDE10A Q9Y233 2/20 0.36
HSD11B1 P28845 1/20 0.36
GAA P10253 1/20 0.35
PKM P14618 1/20 0.35
PHGDH O43175 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HSD17B10 Q99714 1/20 0.35
KIT P10721 1/20 0.35
HDAC2 Q92769 1/20 0.35

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
SCHEMBL1775315 0.86 HCAR2 (0.44) HTR1AHTR1DHTR1BHCAR2HRH4
SCHEMBL1775291 0.86 KIT (0.48) HTR1AHTR1DHTR1BPDE10AKIT
SCHEMBL1775743 0.85 TRPV1 (0.39) HCAR2CNR2NPSR1
SCHEMBL1775933 0.81 HCAR2 (0.47) HTR1AHTR1DHTR1BHCAR2HRH4
SCHEMBL1776416 0.81 HCAR2 (0.38) HTR1AHTR1DHTR1BHCAR2HRH4
SCHEMBL1776302 0.81 TRPV1 (0.41) HTR1AHTR1DHTR1BHCAR2HRH4
SCHEMBL1774917 0.80 SMN1; SMN2 (0.44) HTR1AHTR1DHTR1BHCAR2RBP4
SCHEMBL1775813 0.79 CNR2 (0.38) HTR1AHTR1DHTR1BHCAR2CNR2
SCHEMBL12601538 0.79 PDE10A (0.51) PDE10AKIT
SCHEMBL1774920 0.78 HTR1A (0.40) HTR1AHTR1DHTR1BHCAR2CNR2

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 HTR1A 1317/4885HTR1D 1478/4885HTR1B 452/4885

“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.