SCHEMBL949296

SCHEMBL949296

O=S(=O)(c1cccc(Br)c1)c1cnc2c(C3CCNCC3)cccc2c1

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 18/20 0.50
HTR2A P28223 4/20 0.50
HTR2B P41595 1/20 0.50
HTR1A P08908 1/20 0.49
DRD2 P14416 1/20 0.49
HTR7 P34969 1/20 0.49
EP300 Q09472 1/20 0.35
SCN9A Q15858 1/20 0.34

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
Tert-Butyl Formate SCHEMBL27986724 0.90 HTR6 (0.44) HTR6HTR2AHTR2BHTR1ADRD2
SCHEMBL2450282 0.89 HTR6 (0.61) HTR6HTR2AHTR2BHTR1ADRD2
Hydrochloric Acid SCHEMBL951642 0.88 HTR6 (0.60) HTR6HTR2AHTR2BHTR1ADRD2
SCHEMBL948371 0.84 HTR6 (0.48) HTR6HTR2AHTR2BHTR1ADRD2
SCHEMBL950399 0.83 HTR6 (0.51) HTR6HTR2AHTR2BHTR1ADRD2
SCHEMBL952720 0.83 HTR6 (0.55) HTR6HTR2AHTR2BHTR1ADRD2
SCHEMBL946338 0.83 HTR6 (0.53) HTR6HTR2AHTR2BHTR1ADRD2
SCHEMBL2450686 0.80 HTR6 (0.40) HTR6HTR2AHTR2BHTR1ADRD2
SCHEMBL27774717 0.79 HTR6 (0.45) HTR6HTR2AHTR2BHTR1ADRD2
SCHEMBL27986723 0.78 HTR6 (0.51) HTR6HTR2AHTR2BHTR1ADRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
EP-2139880-B1 QUINOLINE COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE SEROTONIN 5-HT6 RECEPTOR ABBOTT GMBH & CO KG (DE) 2011-09-14 EP claimed
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
US-8242102-B2 Quinoline compounds suitable for treating disorders that respond to modulation of the serotonin 5-HT6 receptor ABBOTT GMBH & CO. KG (DE) 2012-08-14 US disclosed
EP-2139880-B1 QUINOLINE COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE SEROTONIN 5-HT6 RECEPTOR ABBOTT GMBH & CO KG (DE) 2011-09-14 EP disclosed
US-20110009380-A1 QUINOLINE COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE SEROTONIN 5-HT6 RECEPTOR ABBOTT GMBH & CO. KG (DE) 2011-01-13 US disclosed
EP-2139880-A1 QUINOLINE COMPOUNDS SUITABLE FOR TREATING DIDORDERS THAT RESPOND TO MODULATION OF THE SEROTONIN 5-HT6 RECEPTOR Abbott GmbH & Co. KG (DE) 2010-01-06 EP disclosed
WO-2008116831-A1 QUINOLINE COMPOUNDS SUITABLE FOR TREATING DIDORDERS THAT RESPOND TO MODULATION OF THE SEROTONIN 5-HT6 RECEPTOR ABBOTT GMBH & CO. KG (DE) 2008-10-02 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 (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-20110009380-A1 QUINOLINE COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE SEROTONIN 5-HT6 RECEPTOR HTR2C, HTR3B, HTR1B HTR6 6/4885HTR2A 5/4885HTR2B 4/4885

“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.