SCHEMBL1998085

SCHEMBL1998085

CC(C)C1=NCCOc2ccc3c(ccn3S(=O)(=O)c3ccccc3)c21

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 20/20 0.44
DRD2 P14416 4/20 0.40
DRD3 P35462 4/20 0.40
HTR1A P08908 3/20 0.40
HTR1D P28221 2/20 0.40
HTR1B P28222 2/20 0.40
HTR1F P30939 2/20 0.40
HTR7 P34969 2/20 0.40
HTR2A P28223 1/20 0.40
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39

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
SCHEMBL1997137 0.86 HTR6 (0.46) HTR6DRD2DRD3HTR1AHTR1D
SCHEMBL2000758 0.72 HTR6 (0.45) HTR6DRD2DRD3HTR1AHTR1D
SCHEMBL2000753 0.70 HTR6 (0.49) HTR6DRD2DRD3HTR1AHTR1D
SCHEMBL1995160 0.70 HTR6 (0.46) HTR6DRD2DRD3HTR1AHTR1D
SCHEMBL1999183 0.70 HTR6 (0.41) HTR6DRD2DRD3HTR1AHTR1D
SCHEMBL1995846 0.70 HTR6 (0.54) HTR6DRD2DRD3HTR1AHTR2A
SCHEMBL2001580 0.69 HTR6 (0.44) HTR6DRD2HTR2ACYP3A4CYP2D6
SCHEMBL1996256 0.69 HTR6 (0.49) HTR6DRD2DRD3HTR1AHTR1D
SCHEMBL2001352 0.68 HTR6 (0.49) HTR6DRD2DRD3HTR1AHTR1D
SCHEMBL1996842 0.68 HTR6 (0.54) HTR6DRD2DRD3HTR1AHTR2A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7960374-B2 e.g. 2,5-methylene-9-(phenylsulfonyl)-1,2,3,4,5,9-hexahydro[1,5]oxazocino[3,2-e]indole; serotonin receptors antagonist or partial agonist; metabolic diseases, e.g. obesity, insulin resisitance, type 2 diabetes, eating disorders; antidepressant, anxiolytic agent; cosmetics PROXIMAGEN LIMITED (GB) 2011-06-14 US disclosed
EP-2091953-A1 8-SULFONYL-L, 3, 4, 8-TETRAHYDR0-2H- [1, 4]OXAZEPINO [6, 7-E]INDOLE DERIVATIVES AND THEIR USE AS 5-HT6 RECEPTOR LIGANDS BIOVITRUM AB (publ) (SE) 2009-08-26 EP disclosed
US-20080176829-A1 Compounds PROXIMAGEN NEUROSCIENCE PLC (GB) 2008-07-24 US disclosed
WO-2008054288-A1 8-SULFONYL-L, 3, 4, 8-TETRAHYDR0-2H- [1, 4] OXAZEPINO [6, 7-E] INDOLE DERIVATIVES AND THEIR USE AS 5-HT6 RECEPTOR LIGANDS BIOVITRUM AB (PUBL) (SE) 2008-05-08 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-20080176829-A1 Compounds HTR6, HTR1B, HTR1A HTR6 1/4885DRD2 96/4885DRD3 174/4885

“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.