SCHEMBL3645947

SCHEMBL3645947

O=S(=O)(c1cccc(OC(F)(F)F)c1)c1cnc2c(N3CC4CNCC4C3)cccc2c1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 6/20 0.52
HTR2A P28223 3/20 0.52
HTR1A P08908 1/20 0.52
DRD2 P14416 1/20 0.52
HTR7 P34969 1/20 0.52
PIM1 P11309 1/20 0.43
NAMPT P43490 10/20 0.41
SLC40A1 Q9NP59 2/20 0.40
AKR1C3 P42330 1/20 0.38
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 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
SCHEMBL3646293 0.94 HTR6 (0.50) HTR6HTR2AHTR1ADRD2HTR7
SCHEMBL17580937 0.87 HTR2A (0.47) HTR6HTR2AHTR1ADRD2HTR7
SCHEMBL3646882 0.86 HTR6 (0.54) HTR6HTR2AHTR1ADRD2HTR7
SCHEMBL13359008 0.85 HTR6 (0.67) HTR6HTR2AHTR1ADRD2HTR7
SCHEMBL3651450 0.84 HTR6 (0.71) HTR6HTR2AHTR1ADRD2HTR7
Hydrochloric Acid SCHEMBL3647127 0.84 HTR6 (0.66) HTR6HTR2AHTR1ADRD2HTR7
SCHEMBL3643424 0.84 HTR6 (0.58) HTR6HTR2AHTR1ADRD2HTR7
SCHEMBL3750029 0.83 HTR6 (0.47) HTR6HTR2AHTR1ADRD2HTR7
SCHEMBL17580974 0.83 HTR2A (0.46) HTR6HTR2AHTR1ADRD2HTR7
SCHEMBL17580778 0.83 PIM1 (0.49) HTR6PIM1NAMPTAKR1C3CYP3A4

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 10 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
EP-2185555-A1 QUINOLINE COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE SEROTONIN 5-HT6 RECEPTOR Abbott GmbH & Co. KG (DE) 2010-05-19 EP disclosed
WO-2009019286-A1 QUINOLINE COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE SEROTONIN 5-HT6 RECEPTOR ABBOTT GMBH & CO. KG (DE) 2009-02-12 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 (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.