SCHEMBL949356

SCHEMBL949356

CC(C)(C)OC(=O)N1CCC(c2cccc3cc(S(=O)(=O)c4cccc(N5CCCC5)c4)cnc23)CC1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 6/20 0.54
HTR2A P28223 4/20 0.48
HTR6 P50406 4/20 0.48
HTR2B P41595 1/20 0.48
PIK3CA P42336 1/20 0.47
TGFBR1 P36897 2/20 0.45
MAPT P10636 1/20 0.44
NR1H2 P55055 2/20 0.43
NR1H3 Q13133 1/20 0.43
HTR1A P08908 1/20 0.41
DRD2 P14416 1/20 0.41
HTR7 P34969 1/20 0.41
SFRP1 Q8N474 1/20 0.41
STS P08842 1/20 0.40

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
SCHEMBL948976 0.87 HTR2A (0.50) GPR119HTR2AHTR6HTR2BPIK3CA
SCHEMBL951512 0.83 HTR2A (0.48) GPR119HTR2AHTR6HTR2BPIK3CA
SCHEMBL952720 0.81 HTR6 (0.55) HTR2AHTR6HTR2BPIK3CAHTR1A
SCHEMBL949355 0.81 HTR6 (0.45) GPR119HTR2AHTR6HTR2BPIK3CA
SCHEMBL2195197 0.78 HTR2A (0.59) GPR119HTR2AHTR6PIK3CAHTR1A
SCHEMBL949399 0.77 HTR6 (0.60) HTR2AHTR6HTR2BHTR1ADRD2
SCHEMBL3745125 0.77 HTR2A (0.49) GPR119HTR2AHTR6PIK3CANR1H2
SCHEMBL2197307 0.77 HTR2A (0.63) GPR119HTR2AHTR6PIK3CAHTR1A
SCHEMBL3827483 0.75 PIK3CA (0.66) GPR119HTR6PIK3CATGFBR1MAPT
SCHEMBL17580926 0.75 HTR2A (0.47) GPR119HTR2AHTR6PIK3CANR1H2

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 GPR119 530/4885HTR2A 5/4885HTR6 6/4885

“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.