SCHEMBL2223601

SCHEMBL2223601

COc1ccc(S(=O)(=O)c2cc(Br)ccc2OC)cc1NC1CCN(C)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 7/20 0.55
CYP2D6 P10635 5/20 0.55
HTR7 P34969 4/20 0.52
DRD2 P14416 3/20 0.52
HTR2A P28223 3/20 0.52
HTR2C P28335 3/20 0.52
ADRA1B P35368 3/20 0.52
KCNH2 Q12809 2/20 0.52
SLC6A2 P23975 2/20 0.52
HRH1 P35367 2/20 0.52
SLC6A3 Q01959 2/20 0.52
SLC6A4 P31645 1/20 0.52
GAA P10253 2/20 0.46
ALPL P05186 1/20 0.43
HTR6 P50406 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
HTR4 Q13639 2/20 0.42
CYP1A2 P05177 1/20 0.42
HTR1A P08908 1/20 0.42
HTR1D P28221 1/20 0.42

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 SCHEMBL2224607 0.99 CYP3A4 (0.54) CYP3A4CYP2D6HTR7DRD2HTR2A
SCHEMBL16986613 0.93 CYP3A4 (0.49) CYP3A4CYP2D6HTR7DRD2HTR2A
Hydrochloric Acid SCHEMBL2224225 0.92 CYP3A4 (0.49) CYP3A4CYP2D6HTR7DRD2HTR2A
SCHEMBL16986591 0.87 KCNH2 (0.64) CYP3A4CYP2D6HTR7DRD2HTR2A
SCHEMBL16986598 0.86 HTR6 (0.42) CYP3A4CYP2D6HTR7DRD2HTR2A
SCHEMBL16986597 0.86 CYP3A4 (0.57) CYP3A4CYP2D6HTR7DRD2HTR2A
Hydrochloric Acid SCHEMBL2224778 0.85 HTR6 (0.42) CYP3A4CYP2D6HTR7DRD2HTR2A
SCHEMBL2224892 0.84 GAA (0.41) CYP3A4CYP2D6HTR7DRD2HTR2A
SCHEMBL4630007 0.83 CYP3A4 (0.49) CYP3A4CYP2D6HTR7DRD2HTR2A
SCHEMBL16986593 0.81 CYP3A4 (0.66) CYP3A4CYP2D6HTR7DRD2HTR2A

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
EP-2521714-B1 Aromatic sulfone compounds useful in the treatment of central nervous disorders SUVEN LIFE SCIENCES LTD (IN) 2015-08-12 EP claimed
EP-2521714-B1 Aromatic sulfone compounds useful in the treatment of central nervous disorders SUVEN LIFE SCIENCES LTD (IN) 2015-08-12 EP disclosed
US-9018231-B2 Sulfone compounds as 5-HT6 receptor ligands SUVEN LIFE SCIENCES LIMITED (IN) 2015-04-28 US disclosed
US-20130005709-A1 SULFONE COMPOUNDS AS 5-HT6 RECEPTOR LIGANDS SUVEN LIFE SCIENCES LIMITED (IN) 2013-01-03 US disclosed
EP-2521714-A1 SULFONE COMPOUNDS AS 5-HT6 RECEPTOR LIGANDS Suven Life Sciences Limited (IN) 2012-11-14 EP disclosed
WO-2011083487-A1 SULFONE COMPOUNDS AS 5-HT6 RECEPTOR LIGANDS SUVEN LIFE SCIENCES LIMITED (IN) 2011-07-14 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-20130005709-A1 SULFONE COMPOUNDS AS 5-HT6 RECEPTOR LIGANDS HTR6, HTR5A, HTR1A CYP3A4 138/4885CYP2D6 24/4885HTR7 15/4885

“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.