SCHEMBL5210779

SCHEMBL5210779

O=S(=O)(c1ccccc1)C1(F)CCN(CC(O)c2ccc(F)cc2F)CC1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 11/20 0.62
HTR2C P28335 9/20 0.62
KCNH2 Q12809 9/20 0.62
DRD2 P14416 6/20 0.53
PSEN1 P49768 1/20 0.40
PSEN2 P49810 1/20 0.40
APH1B Q8WW43 1/20 0.40
NCSTN Q92542 1/20 0.40
APH1A Q96BI3 1/20 0.40
PSENEN Q9NZ42 1/20 0.40
CCR3 P51677 1/20 0.39
OPRM1 P35372 1/20 0.39
KDM4E B2RXH2 1/20 0.37
HTT P42858 1/20 0.37
RORC P51449 3/20 0.37
CYP2D6 P10635 1/20 0.37
GRIN1 Q05586 1/20 0.36
GRIN2B Q13224 1/20 0.36

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
SCHEMBL5210783 1.00 HTR2A (0.62) HTR2AHTR2CKCNH2DRD2PSEN1
SCHEMBL5210373 0.88 HTR2A (0.63) HTR2AHTR2CKCNH2DRD2PSEN1
SCHEMBL5737711 0.80 HTR2A (0.56) HTR2AHTR2CKCNH2DRD2PSEN1
SCHEMBL5212366 0.78 HTR2A (0.54) HTR2AHTR2CKCNH2DRD2KDM4E
SCHEMBL5802201 0.77 HTR2A (0.62) HTR2AHTR2CKCNH2DRD2PSEN1
SCHEMBL5245186 0.76 HTR2A (0.51) HTR2AHTR2CKCNH2DRD2OPRM1
SCHEMBL27646003 0.76 HTR2A (0.53) HTR2AHTR2CKCNH2DRD2OPRM1
SCHEMBL27646004 0.74 HTR2A (0.54) HTR2AHTR2CKCNH2DRD2KDM4E
SCHEMBL5211501 0.72 HTR2A (0.63) HTR2AHTR2CKCNH2DRD2KDM4E
SCHEMBL5213206 0.71 HTR2A (0.71) HTR2AHTR2CKCNH2DRD2OPRM1

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 2 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

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.