SCHEMBL6587217

SCHEMBL6587217

O=CNc1ccc(S(=O)(=O)C2CCN(CCc3ccc(F)cc3)CC2)cc1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 13/20 0.57
HTR2C P28335 11/20 0.57
KCNH2 Q12809 10/20 0.57
DRD2 P14416 5/20 0.51
HTR7 P34969 2/20 0.48
HTR6 P50406 2/20 0.48
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

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
SCHEMBL6587822 0.89 HTR2A (0.73) HTR2AHTR2CKCNH2DRD2CA12
SCHEMBL7024062 0.88 HTR2A (0.70) HTR2AHTR2CKCNH2DRD2HTR7
SCHEMBL6586480 0.85 HTR2A (0.78) HTR2AHTR2CKCNH2DRD2
SCHEMBL7022479 0.82 HTR2A (0.63) HTR2AHTR2CKCNH2DRD2HTR7
SCHEMBL7027981 0.82 HTR2A (0.71) HTR2AHTR2CKCNH2DRD2HTR7
SCHEMBL7035227 0.82 HTR2A (0.63) HTR2AHTR2CKCNH2DRD2HTR7
SCHEMBL7029502 0.82 HTR2A (0.82) HTR2AHTR2CKCNH2DRD2HTR7
SCHEMBL7030971 0.82 HTR2A (0.73) HTR2AHTR2CKCNH2DRD2HTR7
SCHEMBL7025260 0.81 HTR2A (0.61) HTR2AHTR2CKCNH2DRD2HTR7
SCHEMBL7034106 0.80 HTR2A (0.62) HTR2AHTR2CKCNH2DRD2HTR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1147084-B1 PHENYLSULPHONYL DERIVATIVES AS 5-HT RECEPTOR LIGANDS MERCK SHARP & DOHME (GB) 2004-05-19 EP claimed
US-20030203889-A1 Phenylsulphonyl derivatives as 5-HT receptor ligands MERCK & CO., INC. 2003-10-30 US claimed
US-6559166-B1 A class of phenylsulphonyl derivatives wherein the sulphonyl moiety is also attached to an N-arylalkyl-substituted azetidine, pyrrolidine or piperidine ring are selective antagonists of the human 5-HT2A receptor and are therefore MERCK SHARP & DOHME LTD. 2003-05-06 US claimed
EP-1147084-A1 PHENYLSULPHONYL DERIVATIVES AS 5-HT RECEPTOR LIGANDS MERCK SHARP & DOHME LTD. (GB) 2001-10-24 EP claimed
WO-2000043362-A1 PHENYLSULPHONYL DERIVATIVES AS 5-HT RECEPTOR LIGANDS MERCK SHARP & DOHME LIMITED (GB) 2000-07-27 WO claimed
US-6777430-B2 A DERIVATIVES WITH ATTACHED TO AN N-ARYLALKYL-SUBSTITUTED AZETIDINE, PYRROLIDINE OR PIPERIDINE RING; A SERATONIN RECEPTOR ANTAGONISTS FOR TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDER SCHIZOPHRENIA, DEPRESSION MERCK SHARP & DOHME LTD. 2004-08-17 US disclosed
EP-1147084-B1 PHENYLSULPHONYL DERIVATIVES AS 5-HT RECEPTOR LIGANDS MERCK SHARP & DOHME (GB) 2004-05-19 EP disclosed
US-20030203889-A1 Phenylsulphonyl derivatives as 5-HT receptor ligands MERCK & CO., INC. 2003-10-30 US disclosed
US-6559166-B1 A class of phenylsulphonyl derivatives wherein the sulphonyl moiety is also attached to an N-arylalkyl-substituted azetidine, pyrrolidine or piperidine ring are selective antagonists of the human 5-HT2A receptor and are therefore MERCK SHARP & DOHME LTD. 2003-05-06 US disclosed
EP-1147084-A1 PHENYLSULPHONYL DERIVATIVES AS 5-HT RECEPTOR LIGANDS MERCK SHARP & DOHME LTD. (GB) 2001-10-24 EP disclosed
WO-2000043362-A1 PHENYLSULPHONYL DERIVATIVES AS 5-HT RECEPTOR LIGANDS MERCK SHARP & DOHME LIMITED (GB) 2000-07-27 WO 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-20030203889-A1 Phenylsulphonyl derivatives as 5-HT receptor ligands HTR2A, HTR5A, HTR2C HTR2A 1/4885HTR2C 3/4885KCNH2 461/4885

“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.