SCHEMBL5209665

SCHEMBL5209665

O=S(=O)(c1ccc(F)cc1)C1(F)CCN(CCc2ccccc2)CC1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 9/20 0.67
HTR2C P28335 7/20 0.67
KCNH2 Q12809 7/20 0.67
DRD2 P14416 8/20 0.67
SIGMAR1 Q99720 3/20 0.50
GRIN2D O15399 1/20 0.50
GRIN3B O60391 1/20 0.50
GRIN1 Q05586 1/20 0.50
GRIN2A Q12879 1/20 0.50
GRIN2B Q13224 1/20 0.50
GRIN2C Q14957 1/20 0.50
GRIN3A Q8TCU5 1/20 0.50
MMP1 P03956 1/20 0.49
MMP9 P14780 1/20 0.49
MMP13 P45452 1/20 0.49
ADAM17 P78536 1/20 0.49
MEN1 O00255 1/20 0.48
ALDH1A1 P00352 1/20 0.48
GAA P10253 1/20 0.48
HPGD P15428 1/20 0.48

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
SCHEMBL5213206 0.95 HTR2A (0.71) HTR2AHTR2CKCNH2DRD2SIGMAR1
SCHEMBL6102337 0.93 HTR2A (0.71) HTR2AHTR2CKCNH2DRD2SIGMAR1
SCHEMBL5214013 0.92 HTR2A (0.66) HTR2AHTR2CKCNH2DRD2SIGMAR1
SCHEMBL5212640 0.85 KCNH2 (0.66) HTR2AHTR2CKCNH2DRD2MMP1
SCHEMBL5214395 0.85 HTR2A (0.78) HTR2AHTR2CKCNH2DRD2SIGMAR1
SCHEMBL5216429 0.84 KCNH2 (0.74) HTR2AHTR2CKCNH2DRD2
SCHEMBL5209103 0.83 HTR2A (0.59) HTR2AHTR2CKCNH2DRD2MMP1
SCHEMBL6112646 0.81 HTR2A (0.71) HTR2AHTR2CKCNH2DRD2SIGMAR1
SCHEMBL5213008 0.81 HTR2A (1.00) HTR2AHTR2CKCNH2DRD2
SCHEMBL5209963 0.80 HTR2A (1.00) HTR2AHTR2CKCNH2DRD2

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.