SCHEMBL3752687

SCHEMBL3752687

CC(C)(C)OC(=O)N1CC2CN(c3cccc4cc(S(=O)(=O)c5cccc(C(F)(F)F)c5)cnc34)CC2C1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.49
HTR6 P50406 3/20 0.49
HTR1A P08908 2/20 0.45
DRD2 P14416 1/20 0.45
HTR7 P34969 1/20 0.45
RORC P51449 4/20 0.39
SFRP1 Q8N474 3/20 0.38
PDE10A Q9Y233 2/20 0.38
STS P08842 1/20 0.38
GPR119 Q8TDV5 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
TGFBR1 P36897 1/20 0.37
GPBAR1 Q8TDU6 1/20 0.37

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
SCHEMBL3752691 1.00 HTR2A (0.49) HTR2AHTR6HTR1ADRD2HTR7
SCHEMBL2197469 0.90 HTR6 (0.56) HTR2AHTR6HTR1ADRD2HTR7
SCHEMBL17580797 0.89 HTR2A (0.48) HTR2AHTR6HTR1ADRD2HTR7
SCHEMBL3745125 0.89 HTR2A (0.49) HTR2AHTR6HTR1ADRD2HTR7
SCHEMBL3750029 0.89 HTR6 (0.47) HTR2AHTR6HTR1ADRD2HTR7
SCHEMBL17580995 0.88 HTR2A (0.49) HTR2AHTR6HTR1ADRD2HTR7
SCHEMBL3650304 0.88 HTR2A (0.47) HTR2AHTR6HTR1ADRD2HTR7
SCHEMBL19327092 0.87 HTR6 (0.51) HTR2AHTR6HTR1ADRD2HTR7
SCHEMBL3740556 0.87 HTR2A (0.51) HTR2AHTR6HTR1ADRD2HTR7
SCHEMBL17580926 0.86 HTR2A (0.47) HTR2AHTR6HTR1ADRD2HTR7

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
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 claimed
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 claimed
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 claimed
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
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
US-20100292271-A1 Quinoline Compounds Suitable for Treating Disorders that Respond to Modulation of the Serotonin-5-HT6 Receptor ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2010-11-18 US 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-20100292271-A1 Quinoline Compounds Suitable for Treating Disorders that Respond to Modulation of the Serotonin-5-HT6 Receptor HTR6, HTR1A, HTR3B HTR2A 7/4885HTR6 1/4885HTR1A 2/4885
US-20130005703-A1 QUINOLINE COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE SEROTONIN-5-HT6 RECEPTOR HTR6, HTR1A, HTR3B HTR2A 7/4885HTR6 1/4885HTR1A 2/4885

“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.