SCHEMBL1994223

SCHEMBL1994223

O=S(=O)(c1ccccc1)n1ccc2c(Br)c(OCc3ccccc3)ccc21

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 19/20 0.52
BCHE P06276 3/20 0.52
HDAC1 Q13547 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
HTR1A P08908 1/20 0.45
HTR1D P28221 1/20 0.45
HTR1B P28222 1/20 0.45
HTR1F P30939 1/20 0.45
HTR7 P34969 1/20 0.45
DRD3 P35462 1/20 0.45

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
SCHEMBL1996848 0.84 NPC1 (0.54) HTR6BCHE
SCHEMBL17927509 0.84 HTR6 (0.71) HTR6BCHE
SCHEMBL3621334 0.82 HTR6 (0.69) HTR6HTR1AHTR1DHTR1BHTR1F
SCHEMBL4480035 0.81 MAPK14 (0.60) HTR6BCHEHDAC1HDAC6
SCHEMBL1995418 0.78 HTR6 (0.53) HTR6BCHEHDAC1HDAC6HTR1A
SCHEMBL3616917 0.77 HTR6 (0.60) HTR6BCHEDRD3
SCHEMBL2428297 0.75 MTNR1B (0.42) HTR6
SCHEMBL3621658 0.75 HTR6 (0.50) HTR6BCHEHDAC1HDAC6HTR1A
SCHEMBL1998271 0.75 HTR6 (0.67) HTR6HDAC1HDAC6HTR1AHTR1D
SCHEMBL1994509 0.75 HDAC1 (0.51) HTR6BCHEHDAC1HDAC6DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2046741-B1 INDOLES AS 5-HT6 MODULATORS PROXIMAGEN LTD (GB) 2012-10-31 EP disclosed
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
US-7812017-B2 4-substituted indole and indoline compounds BIOVITRUM AB (PUBL.) (SE) 2010-10-12 US disclosed
CN-101547927-A 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) 2009-09-30 CN 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
CN-101484420-A Indoles as 5-HT 6 modulators BIOVITRUM AB PUBL (SE) 2009-07-15 CN disclosed
EP-2046741-A1 INDOLES AS 5-HT6 MODULATORS BIOVITRUM AB (publ) (SE) 2009-04-15 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
US-20080032968-A1 New compounds PROXIMAGEN NEUROSCIENCE PLC (GB) 2008-02-07 US disclosed
WO-2008003703-A1 INDOLES AS 5-HT6 MODULATORS BIOVITRUM AB (PUBL) (SE) 2008-01-10 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 (2 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-20080032968-A1 New compounds HTR6, HTR1B, HTR1A HTR6 1/4885BCHE 1193/4885HDAC1 1399/4885
US-20080176829-A1 Compounds HTR6, HTR1B, HTR1A HTR6 1/4885BCHE 1295/4885HDAC1 1908/4885

“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.