SCHEMBL4513894

SCHEMBL4513894

CN(C(=O)C(F)(F)F)C1CCc2c(S(=O)(=O)Nc3ccc(C(F)(F)F)cc3)ccc(OS(=O)(=O)C(F)(F)F)c2C1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.41
QRFPR Q96P65 1/20 0.41
DRD2 P14416 2/20 0.39
DRD3 P35462 2/20 0.39
HTR1D P28221 1/20 0.39
TP53 P04637 1/20 0.38
IDH1 O75874 3/20 0.37
MEN1 O00255 1/20 0.37
ALOX15 P16050 1/20 0.37
MAPK1 P28482 1/20 0.37
KMT2A Q03164 1/20 0.37
TRIM24 O15164 1/20 0.36
TGFBR1 P36897 1/20 0.36
MCL1 Q07820 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
SCHEMBL4513888 1.00 HTR6 (0.41) HTR6QRFPRDRD2DRD3HTR1D
SCHEMBL4519658 0.90 HTR6 (0.52) HTR6QRFPRTP53MEN1ALOX15
SCHEMBL4965151 0.85 TP53 (0.41) HTR6QRFPRTP53IDH1TGFBR1
SCHEMBL4504796 0.85 TP53 (0.41) HTR6QRFPRTP53IDH1TGFBR1
SCHEMBL4530432 0.81 HTR6 (0.51) HTR6QRFPRIDH1MEN1KMT2A
SCHEMBL4508915 0.80 TP53 (0.43) HTR6TP53IDH1MEN1KMT2A
SCHEMBL4518652 0.73 HTR6 (0.50) HTR6QRFPRDRD2DRD3HTR1D
SCHEMBL4519388 0.73 ADRA1A (0.51) HTR6QRFPRMEN1ALOX15MAPK1
SCHEMBL4519467 0.72 MEN1 (0.49) HTR6QRFPRDRD2DRD3MEN1
SCHEMBL13889126 0.71 ALOX15 (0.42) HTR6QRFPRIDH1MEN1ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090099187-A1 Novel 8-Sulfonyl-3 Aminosubstituted Chroman or Tetrahydronaphtalene Derivatives Modulating the 5HT6 Receptor ASTRAZENECA AB (SE) 2009-04-16 US disclosed
EP-1888518-A1 NOVEL 8-SULFONYL-3 AMINOSUBSTITUTED CHROMAN OR TETRAHYDRONAPHTALENE DERIVATIVES MODULATING THE 5HT6 RECEPTOR AstraZeneca AB (SE) 2008-02-20 EP disclosed
WO-2006126938-A1 NOVEL 8-SULFONYL-3 AMINOSUBSTITUTED CHROMAN OR TETRAHYDRONAPHTALENE DERIVATIVES MODULATING THE 5HT6 RECEPTOR ASTRAZENECA AB (SE) 2006-11-30 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-20090099187-A1 Novel 8-Sulfonyl-3 Aminosubstituted Chroman or Tetrahydronaphtalene Derivatives Modulating the 5HT6 Receptor HTR6, HTR1D, HTR1A HTR6 1/4885QRFPR 79/4885DRD2 56/4885

“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.