SCHEMBL4518671

SCHEMBL4518671

COc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)c2c1C[C@@H](N(C)C)CC2

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.78
QRFPR Q96P65 1/20 0.78
CHRM2 P08172 1/20 0.44
CHRM1 P11229 1/20 0.44
CHRM3 P20309 1/20 0.44
HSD11B1 P28845 1/20 0.44
HSD17B2 P37059 1/20 0.44
TP53 P04637 3/20 0.44
DRD2 P14416 1/20 0.44
DRD4 P21917 1/20 0.44
DRD3 P35462 1/20 0.44
HTT P42858 4/20 0.43
NPSR1 Q6W5P4 4/20 0.43
LMNA P02545 3/20 0.43
MAPT P10636 3/20 0.41
MEN1 O00255 3/20 0.41
ALDH1A1 P00352 3/20 0.41
KMT2A Q03164 3/20 0.41
CNR1 P21554 2/20 0.41
GPR55 Q9Y2T6 2/20 0.41

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
SCHEMBL4514903 0.91 HTR6 (0.76) HTR6QRFPRCHRM2CHRM1CHRM3
SCHEMBL4519469 0.89 HTR6 (0.68) HTR6QRFPRCHRM2CHRM1CHRM3
SCHEMBL4516925 0.89 HTR6 (0.68) HTR6QRFPRCHRM2CHRM1CHRM3
SCHEMBL4519217 0.88 HTR6 (0.70) HTR6QRFPRCHRM2CHRM1CHRM3
SCHEMBL4529672 0.88 HTR6 (1.00) HTR6QRFPRCHRM2CHRM1CHRM3
SCHEMBL4961410 0.88 HTR6 (1.00) HTR6QRFPRCHRM2CHRM1CHRM3
SCHEMBL4521081 0.88 HTR6 (1.00) HTR6QRFPRCHRM2CHRM1CHRM3
SCHEMBL4520183 0.86 HTR6 (0.72) HTR6QRFPRCHRM2CHRM1CHRM3
SCHEMBL4512908 0.85 HTR6 (0.57) HTR6QRFPRHSD11B1HSD17B2TP53
SCHEMBL4962886 0.85 HTR6 (0.57) HTR6QRFPRHSD11B1HSD17B2TP53

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 8 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
EP-1888518-A1 NOVEL 8-SULFONYL-3 AMINOSUBSTITUTED CHROMAN OR TETRAHYDRONAPHTALENE DERIVATIVES MODULATING THE 5HT6 RECEPTOR AstraZeneca AB (SE) 2008-02-20 EP claimed
WO-2006126938-A1 NOVEL 8-SULFONYL-3 AMINOSUBSTITUTED CHROMAN OR TETRAHYDRONAPHTALENE DERIVATIVES MODULATING THE 5HT6 RECEPTOR ASTRAZENECA AB (SE) 2006-11-30 WO 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 79/4885CHRM2 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.