SCHEMBL5211501

SCHEMBL5211501

O=C(CN1CCC(F)(S(=O)(=O)c2ccccc2)CC1)c1ccc(F)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 7/20 0.63
HTR2C P28335 6/20 0.63
KCNH2 Q12809 6/20 0.63
DRD2 P14416 4/20 0.50
HSD11B1 P28845 2/20 0.50
ALDH1A1 P00352 4/20 0.49
TSHR P16473 3/20 0.49
KDM4E B2RXH2 2/20 0.49
HTT P42858 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
GAA P10253 3/20 0.47
MEN1 O00255 1/20 0.47
USP2 O75604 1/20 0.47
HPGD P15428 1/20 0.47
KMT2A Q03164 1/20 0.47
HSD17B10 Q99714 1/20 0.47
SLC6A4 P31645 1/20 0.47
SLC6A3 Q01959 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47

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
SCHEMBL5213238 0.94 HTR2A (0.56) HTR2AHTR2CKCNH2DRD2ALDH1A1
SCHEMBL5216044 0.85 HTR2A (0.60) HTR2AHTR2CKCNH2DRD2ALDH1A1
SCHEMBL27646003 0.79 HTR2A (0.53) HTR2AHTR2CKCNH2DRD2ALDH1A1
SCHEMBL5213206 0.79 HTR2A (0.71) HTR2AHTR2CKCNH2DRD2GRIN2B
SCHEMBL6583840 0.78 HTR2A (1.00) HTR2AHTR2CKCNH2DRD2HSD11B1
SCHEMBL5209665 0.76 HTR2A (0.67) HTR2AHTR2CKCNH2DRD2ALDH1A1
SCHEMBL7337894 0.76 GRIN2B (0.65) HTR2AHTR2CKCNH2DRD2ALDH1A1
SCHEMBL27646004 0.75 HTR2A (0.54) HTR2AHTR2CKCNH2DRD2ALDH1A1
SCHEMBL5209103 0.73 HTR2A (0.59) HTR2AHTR2CKCNH2DRD2
SCHEMBL9871356 0.73 ALDH1A1 (0.61) HTR2AHTR2CKCNH2ALDH1A1TSHR

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060211735-A1 4-Arylsulphonylpiperidine derivatives for antagonism of the 5-ht2a receptor MERCK SHARP & DOHME LTD. (GB) 2006-09-21 US claimed
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

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.