SCHEMBL2226702

SCHEMBL2226702

CN1CCC(Nc2cc(S(=O)(=O)c3c[nH]c4ccc(F)cc34)ccc2Br)CC1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.45
CYP3A4 P08684 1/20 0.43
HTR6 P50406 6/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
HTR1F P30939 3/20 0.39
MPO P05164 3/20 0.39
LMNA P02545 2/20 0.38
HTT P42858 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
HTR1D P28221 2/20 0.38
HTR1A P08908 1/20 0.38
HTR1B P28222 1/20 0.38
TDO2 P48775 1/20 0.38
KDM4E B2RXH2 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
SCHEMBL2266345 0.93 KCNH2 (0.43) KCNH2CYP3A4HTR6HTR1FTDO2
SCHEMBL2276442 0.92 KCNH2 (0.47) KCNH2CYP3A4HTR6MEN1KMT2A
SCHEMBL2223411 0.91 KCNH2 (0.49) KCNH2CYP3A4HTR6MEN1KMT2A
SCHEMBL2223345 0.90 KCNH2 (0.45) KCNH2CYP3A4HTR6MEN1KMT2A
SCHEMBL2224695 0.88 HTR6 (0.41) KCNH2CYP3A4HTR6
SCHEMBL2222402 0.88 KCNH2 (0.60) KCNH2CYP3A4HTR6MEN1KMT2A
SCHEMBL2225214 0.87 CYP3A4 (0.49) CYP3A4HTR6MEN1KMT2AKDM4E
SCHEMBL2222361 0.87 MAPT (0.53) KCNH2CYP3A4HTR6LMNAHTT
SCHEMBL2223020 0.86 KCNH2 (0.49) KCNH2CYP3A4HTR6MEN1KMT2A
SCHEMBL2221770 0.86 KCNH2 (0.49) KCNH2CYP3A4HTR6MEN1KMT2A

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 KCNH2 2828/4885CYP3A4 138/4885HTR6 1/4885

“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.