SCHEMBL4517658

SCHEMBL4517658

COc1ccc(S(=O)(=O)Nc2ccccn2)c2c1C[C@@H](N(C)C)CC2

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 3/20 0.63
QRFPR Q96P65 1/20 0.63
ALDH1A1 P00352 6/20 0.55
RXFP1 Q9HBX9 3/20 0.55
HPGD P15428 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
MAPK1 P28482 1/20 0.47
KDM4E B2RXH2 3/20 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
BRD4 O60885 1/20 0.43
TSHR P16473 2/20 0.43
NSD2 O96028 1/20 0.43
HSD17B10 Q99714 1/20 0.43

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
SCHEMBL4514499 0.90 HTR6 (0.66) HTR6QRFPRALDH1A1RXFP1HPGD
SCHEMBL4519668 0.85 HTR6 (0.61) HTR6QRFPRALDH1A1RXFP1SMN1; SMN2
SCHEMBL4503808 0.85 ALDH1A1 (0.57) HTR6QRFPRALDH1A1RXFP1HPGD
SCHEMBL4516925 0.85 HTR6 (0.68) HTR6QRFPRALDH1A1MEN1KMT2A
SCHEMBL4519469 0.85 HTR6 (0.68) HTR6QRFPRALDH1A1MEN1KMT2A
SCHEMBL4515651 0.84 HTR6 (0.59) HTR6QRFPRALDH1A1RXFP1SMN1; SMN2
SCHEMBL4520183 0.84 HTR6 (0.72) HTR6QRFPRALDH1A1SMN1; SMN2MEN1
SCHEMBL4528773 0.82 HTR6 (0.61) HTR6QRFPRALDH1A1
SCHEMBL4509263 0.80 HTR6 (0.59) HTR6QRFPRSMN1; SMN2
SCHEMBL4513708 0.79 HTR6 (0.60) HTR6QRFPRALDH1A1SMN1; SMN2MEN1

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 4 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
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 79/4885ALDH1A1 3193/4885

“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.