SCHEMBL3757257

SCHEMBL3757257

O=C(O)N1CCC2CN(c3cccc4cc(S(=O)(=O)c5ccccc5)cnc34)CC21

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 7/20 0.58
HTR2A P28223 5/20 0.58
HTR1A P08908 1/20 0.58
DRD2 P14416 1/20 0.58
HTR7 P34969 1/20 0.58
HTR2B P41595 1/20 0.41
AKR1C3 P42330 4/20 0.34
AKR1C1 Q04828 1/20 0.34
HDAC3 O15379 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC10 Q969S8 1/20 0.33
HDAC11 Q96DB2 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
HDAC9 Q9UKV0 1/20 0.33
HDAC5 Q9UQL6 1/20 0.33
LMNA P02545 3/20 0.33

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
SCHEMBL17580928 0.93 HTR2A (0.50) HTR6HTR2AHTR1ADRD2HTR7
SCHEMBL17581014 0.91 HTR6 (0.59) HTR6HTR2AHTR1ADRD2HTR7
SCHEMBL17580979 0.90 HTR6 (0.47) HTR6HTR2AHTR1ADRD2HTR7
SCHEMBL3651344 0.88 HTR2A (0.54) HTR6HTR2AHTR1ADRD2HTR7
SCHEMBL17580953 0.86 HTR6 (0.59) HTR6HTR2AHTR1ADRD2HTR7
SCHEMBL3649757 0.82 HTR6 (0.61) HTR6HTR2AHTR1ADRD2HTR7
SCHEMBL3643203 0.81 HTR2A (0.54) HTR6HTR2AHTR1ADRD2HTR7
SCHEMBL3643200 0.81 HTR2A (0.54) HTR6HTR2AHTR1ADRD2HTR7
SCHEMBL3753414 0.81 HTR2A (0.53) HTR6HTR2AHTR1ADRD2HTR7
SCHEMBL17581022 0.81 HTR2A (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 5 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 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 HTR6 1/4885HTR2A 7/4885HTR1A 2/4885
US-20130005703-A1 QUINOLINE COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE SEROTONIN-5-HT6 RECEPTOR HTR6, HTR1A, HTR3B HTR6 1/4885HTR2A 7/4885HTR1A 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.