SCHEMBL5212366

SCHEMBL5212366

O=S(=O)(c1ccc(F)cc1)C1(F)CCN(CC(O)c2ccc(F)cc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 9/20 0.54
HTR2C P28335 6/20 0.54
KCNH2 Q12809 6/20 0.54
DRD2 P14416 4/20 0.54
KDM4E B2RXH2 2/20 0.53
HTT P42858 1/20 0.48
IGF1R P08069 2/20 0.47
GRIN2B Q13224 2/20 0.44
GMNN O75496 1/20 0.44
TP53 P04637 1/20 0.44
CYP3A4 P08684 1/20 0.44
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.44
NFKB1 P19838 1/20 0.44
THPO P40225 1/20 0.44
MTOR P42345 1/20 0.44
BLM P54132 1/20 0.44
GRIN1 Q05586 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
SLC6A3 Q01959 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
SCHEMBL5216938 0.86 HTR2A (0.55) HTR2AHTR2CKCNH2DRD2KDM4E
SCHEMBL27646003 0.80 HTR2A (0.53) HTR2AHTR2CKCNH2DRD2KDM4E
SCHEMBL5213586 0.79 HTR2A (0.47) HTR2AHTR2CKCNH2DRD2
SCHEMBL18859584 0.79 KDM4E (0.67) HTR2ADRD2KDM4EHTTIGF1R
SCHEMBL27646004 0.78 HTR2A (0.54) HTR2AHTR2CKCNH2DRD2KDM4E
SCHEMBL5210779 0.78 HTR2A (0.62) HTR2AHTR2CKCNH2DRD2KDM4E
SCHEMBL5210783 0.78 HTR2A (0.62) HTR2AHTR2CKCNH2DRD2KDM4E
SCHEMBL27625523 0.78 KDM4E (0.46) HTR2AHTR2CKCNH2DRD2KDM4E
SCHEMBL5213238 0.76 HTR2A (0.56) HTR2AHTR2CKCNH2DRD2KDM4E
SCHEMBL6102337 0.75 HTR2A (0.71) HTR2AHTR2CKCNH2DRD2GRIN2B

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
EP-1641756-B1 4-ARYLSULPHONYLPIPERIDINE DERIVATIVES FOR ANTAGONISM OF THE 5-HT2A RECEPTOR MERCK SHARP & DOHME (GB) 2007-04-11 EP disclosed
US-20060211735-A1 4-Arylsulphonylpiperidine derivatives for antagonism of the 5-ht2a receptor MERCK SHARP & DOHME LTD. (GB) 2006-09-21 US disclosed
EP-1641756-A1 4-ARYLSULPHONYLPIPERIDINE DERIVATIVES FOR ANTAGONISM OF THE 5-HT2A RECEPTOR MERCK SHARP & DOHME LTD. (GB) 2006-04-05 EP disclosed
WO-2004101518-A1 4-ARYLSULPHONYLPIPERIDINE DERIVATIVES FOR ANTAGONISM OF THE 5-HT2A RECEPTOR MERCK SHARP & DOHME LIMITED (GB) 2004-11-25 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-20060211735-A1 4-Arylsulphonylpiperidine derivatives for antagonism of the 5-ht2a receptor HTR2A, HTR2C, HTR5A HTR2A 1/4885HTR2C 2/4885KCNH2 442/4885

“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.