SCHEMBL2224629

SCHEMBL2224629

CN1CCC(Nc2cc(S(=O)(=O)c3c[nH]c4cc(Cl)ccc34)ccc2OC(F)(F)F)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 5/20 0.47
CYP2D6 P10635 4/20 0.47
HTR2A P28223 3/20 0.47
DRD2 P14416 2/20 0.47
SLC6A2 P23975 2/20 0.47
HTR2C P28335 2/20 0.47
HTR7 P34969 2/20 0.47
HRH1 P35367 2/20 0.47
ADRA1B P35368 2/20 0.47
SLC6A3 Q01959 2/20 0.47
KCNH2 Q12809 2/20 0.47
SLC6A4 P31645 1/20 0.47
HTR6 P50406 1/20 0.37
CNR2 P34972 2/20 0.35
DDR1 Q08345 2/20 0.35
TNNI3K Q59H18 1/20 0.35
CNR1 P21554 2/20 0.34
POLB P06746 2/20 0.34
DUSP3 P51452 1/20 0.34
PTPN5 P54829 1/20 0.34

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
SCHEMBL2226258 0.93 CYP3A4 (0.49) CYP3A4CYP2D6HTR2ADRD2SLC6A2
SCHEMBL14354338 0.90 CYP3A4 (0.58) CYP3A4CYP2D6HTR2ADRD2SLC6A2
SCHEMBL2224555 0.89 KCNH2 (0.43) CYP3A4CYP2D6HTR2ADRD2SLC6A2
SCHEMBL2224015 0.87 CYP3A4 (0.41) CYP3A4CYP2D6HTR2ADRD2SLC6A2
SCHEMBL2222683 0.86 CYP3A4 (0.44) CYP3A4CYP2D6HTR2ADRD2SLC6A2
SCHEMBL2265762 0.86 HTR6 (0.43) CYP3A4CYP2D6HTR2ADRD2SLC6A2
SCHEMBL2221770 0.86 KCNH2 (0.49) CYP3A4CYP2D6HTR2ADRD2SLC6A2
Hydrochloric Acid SCHEMBL2224877 0.85 CYP3A4 (0.43) CYP3A4CYP2D6HTR2ADRD2SLC6A2
SCHEMBL2224793 0.85 CYP3A4 (0.47) CYP3A4CYP2D6HTR2ADRD2SLC6A2
SCHEMBL2226273 0.84 MAPT (0.48) CYP3A4CYP2D6HTR2ADRD2SLC6A2

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-A1 SULFONE COMPOUNDS AS 5-HT6 RECEPTOR LIGANDS Suven Life Sciences Limited (IN) 2012-11-14 EP claimed
WO-2011083487-A1 SULFONE COMPOUNDS AS 5-HT6 RECEPTOR LIGANDS SUVEN LIFE SCIENCES LIMITED (IN) 2011-07-14 WO claimed
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 24/4885HTR2A 9/4885

“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.