SCHEMBL1612329

SCHEMBL1612329

COc1cc(Cl)c(N(OC(=O)C(F)(F)F)S(=O)(=O)c2cccc(OC(F)F)c2)cc1N1CCNCC1

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 20/20 0.38
▸ CYP3A4 P08684 1/20 0.36
▸ HTR1A P08908 1/20 0.36
▸ HTR2C P28335 1/20 0.36
▸ HTR7 P34969 1/20 0.36
▸ HTR2B P41595 1/20 0.36

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
SCHEMBL616801 0.80 HTR6 (0.41) HTR6
Trifluoroacetic Acid SCHEMBL1612328 0.78 HTR6 (0.56) HTR6HTR1AHTR2CHTR7HTR2B
SCHEMBL1726952 0.76 HTR6 (0.62) HTR6HTR1AHTR2CHTR7HTR2B
SCHEMBL1726886 0.74 HTR6 (0.51) HTR6
SCHEMBL1613495 0.74 ABCB1 (0.38) HTR6HTR1AHTR7
Hydrochloric Acid SCHEMBL1611891 0.74 HTR6 (0.51) HTR6
SCHEMBL616111 0.73 HTR6 (0.52) HTR6
SCHEMBL1610990 0.73 HTR6 (0.47) HTR6
Hydrochloric Acid SCHEMBL15657153 0.73 HTR6 (0.52) HTR6
Hydrochloric Acid SCHEMBL617030 0.73 HTR6 (0.52) HTR6

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011163279-A3 LOW-POWER WIRELESSLY-LINKED RFID TRACKING SYSTEM ROSE MARK D (US) 2012-05-10 — — WO disclosed
EP-2217583-B1 BENZENESULFONANILIDE COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE SEROTONIN 5-HT6 RECEPTOR ABBOTT GMBH & CO KG (DE) 2011-11-30 — — EP disclosed
US-20110086863-A1 BENZENESULFONANILIDE COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE SEROTONIN 5-HT6 RECEPTOR ABBOTT GMBH & CO. KG (DE) 2011-04-14 — — US disclosed
US-7790727-B2 Benzenesulfonanilide compounds suitable for treating disorders that respond to modulation of the serotonin 5-HT6 receptor ABBOTT GMBH & CO. KG (DE) 2010-09-07 — — US disclosed
EP-2217583-A1 BENZENESULFONANILIDE COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE SEROTONIN 5-HT6 RECEPTOR Abbott GmbH & Co. KG (DE) 2010-08-18 — — EP disclosed
US-20090131452-A1 BENZENESULFONANILIDE COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE SEROTONIN 5-HT6 RECEPTOR ABBOTT GMBH & CO. KG (DE) 2009-05-21 — — US disclosed
WO-2009056632-A1 BENZENESULFONANILIDE COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE SEROTONIN 5-HT6 RECEPTOR ABBOTT GMBH & CO. KG (DE) 2009-05-07 — — 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-20090131452-A1 BENZENESULFONANILIDE COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE SEROTONIN 5-HT6 RECEPTOR HTR6, HTR1D, HTR1B HTR6 1/4885CYP3A4 479/4885HTR1A 6/4885
US-20110086863-A1 BENZENESULFONANILIDE COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE SEROTONIN 5-HT6 RECEPTOR HTR6, HTR1D, HTR1B HTR6 1/4885CYP3A4 502/4885HTR1A 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.

Send feedback