SCHEMBL5216044

SCHEMBL5216044

N#Cc1ccc(S(=O)(=O)C2(F)CCN(CC(=O)c3ccc(F)cc3)CC2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 7/20 0.60
HTR2C P28335 6/20 0.60
KCNH2 Q12809 6/20 0.60
DRD2 P14416 3/20 0.60
POLB P06746 1/20 0.49
ALDH1A1 P00352 3/20 0.47
GAA P10253 2/20 0.47
TSHR P16473 2/20 0.47
CYP2C19 P33261 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
PKM P14618 1/20 0.47
ALOX15 P16050 1/20 0.47
KDM4E B2RXH2 2/20 0.45
MAPT P10636 1/20 0.45
RECQL P46063 1/20 0.45
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
RORC P51449 1/20 0.41

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 0.91 HTR2A (0.56) HTR2AHTR2CKCNH2DRD2ALDH1A1
SCHEMBL5211501 0.85 HTR2A (0.63) HTR2AHTR2CKCNH2DRD2ALDH1A1
SCHEMBL5216429 0.81 KCNH2 (0.74) HTR2AHTR2CKCNH2DRD2
SCHEMBL6585537 0.80 HTR2A (0.73) HTR2AHTR2CKCNH2DRD2POLB
SCHEMBL1121499 0.76 GRIN2B (0.46) HTR2AHTR2CKCNH2POLBALDH1A1
SCHEMBL5213445 0.75 HTR2A (1.00) HTR2AHTR2CKCNH2DRD2
SCHEMBL5212640 0.73 KCNH2 (0.66) HTR2AHTR2CKCNH2DRD2ALDH1A1
SCHEMBL8565605 0.72 KDM4E (0.57) HTR2ADRD2POLBALDH1A1TSHR
SCHEMBL5213095 0.72 HTR2A (0.77) HTR2AHTR2CKCNH2DRD2ALDH1A1
SCHEMBL5209103 0.71 HTR2A (0.59) HTR2AHTR2CKCNH2DRD2RORC

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.