SCHEMBL4518652

SCHEMBL4518652

COc1ccc(S(=O)(=O)Cl)c2c1C[C@@H](N(C)C(=O)C(F)(F)F)CC2

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.50
QRFPR Q96P65 1/20 0.50
CHRM2 P08172 1/20 0.37
CHRM1 P11229 1/20 0.37
CHRM3 P20309 1/20 0.37
CYP1A2 P05177 1/20 0.37
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
ACHE P22303 2/20 0.36
DRD2 P14416 2/20 0.36
DRD3 P35462 2/20 0.36
DRD4 P21917 1/20 0.36
ADRA1A P35348 1/20 0.35
HSD11B1 P28845 1/20 0.33
HSD17B2 P37059 1/20 0.33
MTNR1A P48039 1/20 0.33
MTNR1B P49286 1/20 0.33
HTR1D P28221 1/20 0.33

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
SCHEMBL4966066 0.85 HTR6 (0.51) HTR6QRFPRCHRM2CHRM1CHRM3
SCHEMBL4513876 0.85 HTR6 (0.51) HTR6QRFPRCHRM2CHRM1CHRM3
SCHEMBL4519658 0.83 HTR6 (0.52) HTR6QRFPRCYP1A2HSD11B1HSD17B2
SCHEMBL4519109 0.83 HTR6 (0.64) HTR6QRFPRCHRM2CHRM1CHRM3
SCHEMBL4504875 0.83 HTR6 (0.64) HTR6QRFPRCHRM2CHRM1CHRM3
SCHEMBL4565082 0.81 HTR6 (0.36) HTR6QRFPR
SCHEMBL4520157 0.81 HTR6 (0.36) HTR6QRFPR
SCHEMBL4530432 0.81 HTR6 (0.51) HTR6QRFPRCYP1A2HSD11B1HSD17B2
SCHEMBL4518508 0.80 MTNR1A (0.44) HTR6QRFPRCYP1A2CA1CA2
SCHEMBL4514272 0.80 MTNR1A (0.44) HTR6QRFPRCYP1A2CA1CA2

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 5 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
US-20090099187-A1 Novel 8-Sulfonyl-3 Aminosubstituted Chroman or Tetrahydronaphtalene Derivatives Modulating the 5HT6 Receptor ASTRAZENECA AB (SE) 2009-04-16 US disclosed
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 79/4885CHRM2 86/4885

“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.