SCHEMBL4530761

SCHEMBL4530761

COc1ccc(S(=O)(=O)Nc2cccc(F)c2)c2c1C[C@H](N(C)C)CC2

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.64
QRFPR Q96P65 1/20 0.64
SMN1; SMN2 Q16637 3/20 0.53
HSD11B1 P28845 1/20 0.53
HSD17B2 P37059 1/20 0.53
CHRM2 P08172 1/20 0.46
CHRM1 P11229 1/20 0.46
CHRM3 P20309 1/20 0.46
DRD2 P14416 2/20 0.46
DRD4 P21917 1/20 0.46
DRD3 P35462 1/20 0.46
LMNA P02545 2/20 0.45
ALPL P05186 1/20 0.42
PI4KB Q9UBF8 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
HTR1A P08908 2/20 0.41
HTR7 P34969 1/20 0.41
TP53 P04637 1/20 0.41
THRB P10828 1/20 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
SCHEMBL4529490 1.00 HTR6 (0.64) HTR6QRFPRSMN1; SMN2HSD11B1HSD17B2
SCHEMBL4516925 0.88 HTR6 (0.68) HTR6QRFPRHSD11B1HSD17B2CHRM2
SCHEMBL4519469 0.88 HTR6 (0.68) HTR6QRFPRHSD11B1HSD17B2CHRM2
SCHEMBL4519217 0.85 HTR6 (0.70) HTR6QRFPRSMN1; SMN2HSD11B1HSD17B2
SCHEMBL4514903 0.83 HTR6 (0.76) HTR6QRFPRSMN1; SMN2HSD11B1HSD17B2
SCHEMBL4528773 0.82 HTR6 (0.61) HTR6QRFPRLMNAALPLGAA
SCHEMBL4518671 0.82 HTR6 (0.78) HTR6QRFPRSMN1; SMN2HSD11B1HSD17B2
SCHEMBL4513708 0.82 HTR6 (0.60) HTR6QRFPRSMN1; SMN2HSD11B1HSD17B2
SCHEMBL4205590 0.80 HTR6 (0.64) HTR6QRFPRCHRM2CHRM1CHRM3
SCHEMBL4202605 0.80 HTR6 (0.56) HTR6QRFPRCHRM2CHRM1CHRM3

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 79/4885SMN1; 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.