SCHEMBL4515538

SCHEMBL4515538

COc1ccc(S(=O)(=O)NC2CCCCC2)c2c1C[C@@H](N(C)C)CC2

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.62
QRFPR Q96P65 1/20 0.62
SMN1; SMN2 Q16637 3/20 0.57
ALDH1A1 P00352 2/20 0.54
MCOLN3 Q8TDD5 1/20 0.54
TP53 P04637 2/20 0.53
CASP1 P29466 1/20 0.53
HTT P42858 2/20 0.48
GAA P10253 2/20 0.47
PDE4A P27815 1/20 0.47
PDE4B Q07343 1/20 0.47
PDE4C Q08493 1/20 0.47
PDE4D Q08499 1/20 0.47
KMT2A Q03164 1/20 0.46
CHRM2 P08172 1/20 0.46
CHRM1 P11229 1/20 0.46
CHRM3 P20309 1/20 0.46
DRD2 P14416 1/20 0.45
DRD4 P21917 1/20 0.45
DRD3 P35462 1/20 0.45

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
SCHEMBL13889109 0.84 CHRM2 (0.62) HTR6QRFPRCHRM2CHRM1CHRM3
SCHEMBL4509195 0.84 CHRM2 (0.62) HTR6QRFPRCHRM2CHRM1CHRM3
SCHEMBL4518954 0.84 SMN1; SMN2 (0.59) SMN1; SMN2ALDH1A1MCOLN3TP53CASP1
SCHEMBL13889120 0.84 SMN1; SMN2 (0.59) SMN1; SMN2ALDH1A1MCOLN3TP53CASP1
SCHEMBL4519469 0.80 HTR6 (0.68) HTR6QRFPRALDH1A1KMT2ACHRM2
SCHEMBL4516925 0.80 HTR6 (0.68) HTR6QRFPRALDH1A1KMT2ACHRM2
SCHEMBL4504875 0.80 HTR6 (0.64) HTR6QRFPRCHRM2CHRM1CHRM3
SCHEMBL4519109 0.80 HTR6 (0.64) HTR6QRFPRCHRM2CHRM1CHRM3
SCHEMBL4518671 0.78 HTR6 (0.78) HTR6QRFPRSMN1; SMN2ALDH1A1MCOLN3
SCHEMBL4514499 0.78 HTR6 (0.66) HTR6QRFPRALDH1A1KMT2ACHRM2

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
US-20090099187-A1 Novel 8-Sulfonyl-3 Aminosubstituted Chroman or Tetrahydronaphtalene Derivatives Modulating the 5HT6 Receptor ASTRAZENECA AB (SE) 2009-04-16 US claimed
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 79/4885SMN1; SMN2 2149/4885

“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.