SCHEMBL951404

SCHEMBL951404

O=S(=O)(c1ccccc1)c1cnc2c(I)cccc2c1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 6/20 0.56
HTR2A P28223 6/20 0.56
HTR1A P08908 1/20 0.56
DRD2 P14416 1/20 0.56
HTR7 P34969 1/20 0.56
SLC40A1 Q9NP59 2/20 0.43
HTR2B P41595 1/20 0.40
COMT P21964 1/20 0.38
NAMPT P43490 1/20 0.38
ALDH1A1 P00352 3/20 0.37
FFAR2 O15552 1/20 0.37
PKM P14618 1/20 0.37
KDM4E B2RXH2 3/20 0.37
KCNH2 Q12809 1/20 0.36

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
SCHEMBL3652029 0.87 HTR2A (0.46) HTR6HTR2AHTR1ADRD2HTR7
SCHEMBL2198627 0.86 HTR2A (0.60) HTR6HTR2AHTR1ADRD2HTR7
SCHEMBL949595 0.86 HTR2A (0.44) HTR6HTR2AHTR1ADRD2HTR7
SCHEMBL2196768 0.83 SLC40A1 (0.46) HTR6HTR2AHTR1ADRD2HTR7
SCHEMBL2196445 0.82 HTR6 (0.56) HTR6HTR2AHTR1ADRD2HTR7
SCHEMBL3206061 0.82 HTR2A (0.56) HTR6HTR2AHTR1ADRD2HTR7
SCHEMBL11956740 0.82 HTR6 (0.56) HTR6HTR2AHTR1ADRD2HTR7
SCHEMBL3650523 0.80 SLC40A1 (0.48) HTR6HTR2AHTR1ADRD2HTR7
SCHEMBL4232789 0.79 HTR2A (0.54) HTR6HTR2AHTR1ADRD2HTR7
SCHEMBL23416155 0.78 SLC40A1 (0.55) HTR6HTR2AHTR1ADRD2HTR7

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 56 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190135777-A1 QUINOLINE COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO THE MODULATION OF THE SEROTONIN 5-HT6 RECEPTOR AbbVie Deutschland GmbH & Co. KG (DE) 2019-05-09 US disclosed
US-10160744-B2 Quinoline compounds suitable for treating disorders that respond to the modulation of the serotonin 5-HT6 receptor AbbVie Deutschland GmbH & Co. KG (DE) 2018-12-25 US disclosed
WO-2017157929-A1 QUINOLINE COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO THE MODULATION OF THE SEROTONIN 5-HT6 RECEPTOR AbbVie Deutschland GmbH & Co. KG (DE) 2017-09-21 WO disclosed
US-20170260158-A1 QUINOLINE COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO THE MODULATION OF THE SEROTONIN 5-HT6 RECEPTOR AbbVie Deutschland GmbH & Co. KG (DE) 2017-09-14 US disclosed
EP-2185555-B1 QUINOLINE COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE SEROTONIN 5-HT6 RECEPTOR ABBVIE DEUTSCHLAND (DE) 2016-03-16 EP disclosed
CN-101679351-B Quinoline compounds suitable for treating didorders that respond to modulation of the serotonin 5-ht6 receptor ABBVIE GMBH & CO KG 2015-01-07 CN disclosed
CN-101687866-B Quinoline compounds suitable for treating disorders that respond to modulation of the serotonin 5-HT6 receptor ABBOTT GMBH & CO KG 2014-06-04 CN disclosed
US-8440694-B2 Quinoline compounds suitable for treating disorders that respond to modulation of the serotonin-5-HT6 receptor ABBOTT GMBH & CO. KG (DE) 2013-05-14 US disclosed
US-20130005703-A1 QUINOLINE COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE SEROTONIN-5-HT6 RECEPTOR ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2013-01-03 US disclosed
US-8293913-B2 Quinoline compounds suitable for treating disorders that respond to modulation of the serotonin-5-HT6 receptor ABBOTT GMBH & CO. KG (DE) 2012-10-23 US disclosed
EP-1730112-A1 3-((HETERO)ARYLSULFONYL)-8'[ (AMINOALKYL)OXY]QUINOLINES AS 5-HT6 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF CNS DISORDERS GLAXO GROUP LIMITED (GB) 2006-12-13 EP disclosed
EP-1667975-A1 A POLYMORPHIC FORM OF 3-PHENYLSULFONYL-8-PIPERAZIN-1-YL-QUINOLINE GLAXO GROUP LIMITED (GB) 2006-06-14 EP disclosed
EP-1663980-A1 QUINOLINE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM GLAXO GROUP LIMITED (GB) 2006-06-07 EP disclosed
WO-2005095346-A1 3-((HETERO)ARYLSULFONYL)-8-` (AMINOALKYL)OXY!QUINOLINES AS 5-HT6 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF CNS DISORDERS GLAXO GROUP LIMITED (GB) 2005-10-13 WO disclosed
CN-1656075-A Quinoline derivatives and their use as 5-HT6 ligands GLAXO GROUP LTD (GB) 2005-08-17 CN disclosed
US-20050124628-A1 Novel compounds ROIVANT NEUROSCIENCES LTD. (BM) 2005-06-09 US disclosed
WO-2005040124-A1 A POLYMORPHIC FORM OF 3-PHENYLSULFONYL -8-PIPERAZIN-1-YL-QUINOLINE GLAXO GROUP LIMITED (GB) 2005-05-06 WO disclosed
WO-2005026125-A1 QUINOLINE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM GLAXO GROUP LIMITED (GB) 2005-03-24 WO disclosed
EP-1497266-A2 QUINOLINE DERIVATIVES AND THEIR USE AS 5-HT6 LIGANDS GLAXO GROUP LIMITED (GB) 2005-01-19 EP disclosed
WO-2003080580-A2 QUINOLINE DERIVATIVES AND THEIR USE AS 5-HT6 LIGANDS GLAXO GROUP LIMITED (GB) 2003-10-02 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 (5 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-20050124628-A1 Novel compounds NLN, ATP6V1B2, CHRNA2 HTR6 111/4885HTR2A 124/4885HTR1A 132/4885
US-20130005703-A1 QUINOLINE COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE SEROTONIN-5-HT6 RECEPTOR HTR6, HTR1A, HTR3B HTR6 1/4885HTR2A 7/4885HTR1A 2/4885
US-20170260158-A1 QUINOLINE COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO THE MODULATION OF THE SEROTONIN 5-HT6 RECEPTOR HTR6, HTR5A, HTR1A HTR6 1/4885HTR2A 6/4885HTR1A 3/4885
US-10160744-B2 Quinoline compounds suitable for treating disorders that respond to the modulation of the serotonin 5-HT6 receptor HTR6, HTR5A, HTR1A HTR6 1/4885HTR2A 6/4885HTR1A 3/4885
US-20190135777-A1 QUINOLINE COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO THE MODULATION OF THE SEROTONIN 5-HT6 RECEPTOR HTR6, HTR5A, HTR1A HTR6 1/4885HTR2A 6/4885HTR1A 3/4885

“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.