SCHEMBL5209103

SCHEMBL5209103

NC(=O)c1ccc(S(=O)(=O)C2(F)CCN(CCc3ccc(F)cc3)CC2)cc1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 12/20 0.59
HTR2C P28335 10/20 0.59
KCNH2 Q12809 8/20 0.59
DRD2 P14416 6/20 0.59
HTR7 P34969 2/20 0.48
HTR6 P50406 2/20 0.48
MMP1 P03956 1/20 0.45
MMP9 P14780 1/20 0.45
MMP13 P45452 1/20 0.45
CA12 O43570 2/20 0.44
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA4 P22748 2/20 0.44
CA5A P35218 2/20 0.44
CA7 P43166 2/20 0.44
CA9 Q16790 2/20 0.44
CA13 Q8N1Q1 2/20 0.44
CA14 Q9ULX7 2/20 0.44
RORC P51449 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
SCHEMBL6102337 0.89 HTR2A (0.71) HTR2AHTR2CKCNH2DRD2HTR7
SCHEMBL5210470 0.85 HTR2A (0.80) HTR2AHTR2CKCNH2DRD2
SCHEMBL5209665 0.83 HTR2A (0.67) HTR2AHTR2CKCNH2DRD2MMP1
SCHEMBL5213206 0.83 HTR2A (0.71) HTR2AHTR2CKCNH2DRD2MMP1
SCHEMBL5210197 0.83 HTR2A (0.61) HTR2AHTR2CKCNH2DRD2MMP1
SCHEMBL5216429 0.81 KCNH2 (0.74) HTR2AHTR2CKCNH2DRD2CA12
SCHEMBL5213586 0.81 HTR2A (0.47) HTR2AHTR2CKCNH2DRD2CA12
SCHEMBL5213238 0.78 HTR2A (0.56) HTR2AHTR2CKCNH2DRD2
SCHEMBL5214013 0.76 HTR2A (0.66) HTR2AHTR2CKCNH2DRD2MMP1
SCHEMBL5245186 0.75 HTR2A (0.51) HTR2AHTR2CKCNH2DRD2CA12

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.