SCHEMBL948976

SCHEMBL948976

CC(C)(C)OC(=O)N1CCC(c2cccc3cc(S(=O)(=O)c4cccc(Br)c4)cnc23)CC1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.50
HTR6 P50406 3/20 0.50
HTR2B P41595 1/20 0.50
GPR119 Q8TDV5 10/20 0.43
STS P08842 1/20 0.42
SCN9A Q15858 1/20 0.41
SFRP1 Q8N474 1/20 0.41
PIK3CA P42336 1/20 0.40
TGFBR1 P36897 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
SCHEMBL949356 0.87 GPR119 (0.54) HTR2AHTR6HTR2BGPR119STS
SCHEMBL27986723 0.87 HTR6 (0.51) HTR2AHTR6HTR2B
SCHEMBL946338 0.86 HTR6 (0.53) HTR2AHTR6HTR2B
SCHEMBL951512 0.82 HTR2A (0.48) HTR2AHTR6HTR2BGPR119SFRP1
Tert-Butyl Formate SCHEMBL27986724 0.78 HTR6 (0.44) HTR2AHTR6HTR2B
SCHEMBL949399 0.77 HTR6 (0.60) HTR2AHTR6HTR2BSFRP1
SCHEMBL949296 0.77 HTR6 (0.50) HTR2AHTR6HTR2BSCN9A
SCHEMBL19284734 0.76 GPR119 (0.54) GPR119
SCHEMBL2197307 0.75 HTR2A (0.63) HTR2AHTR6GPR119SFRP1PIK3CA
SCHEMBL947861 0.75 HTR2A (0.51) HTR2AHTR6HTR2B

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-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 HTR2A 5/4885HTR6 6/4885HTR2B 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.