SCHEMBL2722161

SCHEMBL2722161

COCc1ccccc1NS(=O)(=O)c1ccc(C)c(N2CCNCC2)c1

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 20/20 0.57
HTR7 P34969 2/20 0.49
HTR4 Q13639 1/20 0.49
HTR1A P08908 1/20 0.48
HTR2C P28335 1/20 0.48
HTR2B P41595 1/20 0.48

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
Hydrochloric Acid SCHEMBL9108834 0.99 HTR6 (0.56) HTR6HTR7HTR4HTR1AHTR2C
SCHEMBL4549896 0.89 HTR6 (0.73) HTR6HTR7HTR4HTR1AHTR2C
SCHEMBL4550033 0.89 TSHR (0.48) HTR6
Hydrochloric Acid SCHEMBL2719620 0.88 HTR6 (0.72) HTR6HTR7HTR4HTR1AHTR2C
Hydrochloric Acid SCHEMBL9111196 0.88 RAD52 (0.49) HTR6
SCHEMBL2720305 0.86 HTR6 (0.62) HTR6HTR7HTR4HTR1AHTR2C
SCHEMBL2719696 0.82 GFER (0.46) HTR6
SCHEMBL4550065 0.81 HTR6 (0.58) HTR6
SCHEMBL6186705 0.80 HTR6 (0.76) HTR6HTR7HTR4HTR1AHTR2C
Hydrochloric Acid SCHEMBL2721358 0.80 HTR6 (0.57) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8710059-B2 N-phenyl-(homo)piperazinyl-benzenesulfonyl or benzenesulfonamide compounds suitable for treating disorders that respond to the modulation of the serotonin 5-HT6 receptor ABBOTT LABORATORIES (US) 2014-04-29 US disclosed
US-8710059-B2 N-phenyl-(homo)piperazinyl-benzenesulfonyl or benzenesulfonamide compounds suitable for treating disorders that respond to the modulation of the serotonin 5-HT6 receptor ABBOTT LABORATORIES (US) 2014-04-29 US disclosed
US-20120142674-A1 N-PHENYL-(HOMO)PIPERAZINYL-BENZENESULFONYL OR BENZENESULFONAMIDE COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO THE MODULATION OF THE SEROTONIN 5-HT6 RECEPTOR ABBOTT LABORATORIES (US) 2012-06-07 US disclosed
US-20120142674-A1 N-PHENYL-(HOMO)PIPERAZINYL-BENZENESULFONYL OR BENZENESULFONAMIDE COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO THE MODULATION OF THE SEROTONIN 5-HT6 RECEPTOR ABBOTT LABORATORIES (US) 2012-06-07 US disclosed
WO-2012059432-A1 N-PHENYL-(HOMO)PIPERAZINYL-BENZENESULFONYL OR BENZENESULFONAMIDE COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO THE MODULATION OF THE 5-HT6 RECEPTOR ABBOTT GMBH & CO. KG (DE) 2012-05-10 WO disclosed
WO-2012059432-A1 N-PHENYL-(HOMO)PIPERAZINYL-BENZENESULFONYL OR BENZENESULFONAMIDE COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO THE MODULATION OF THE 5-HT6 RECEPTOR ABBOTT GMBH & CO. KG (DE) 2012-05-10 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-20120142674-A1 N-PHENYL-(HOMO)PIPERAZINYL-BENZENESULFONYL OR BENZENESULFONAMIDE COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO THE MODULATION OF THE SEROTONIN 5-HT6 RECEPTOR HTR6, HTR5A, HTR1B HTR6 1/4885HTR7 10/4885HTR4 4/4885

“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.