SCHEMBL6583840

SCHEMBL6583840

O=C(CN1CCC(S(=O)(=O)c2ccccc2)CC1)c1ccc(F)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 10/20 1.00
KCNH2 Q12809 7/20 1.00
HTR2C P28335 6/20 1.00
DRD2 P14416 4/20 0.75
GRIN1 Q05586 2/20 0.56
GRIN2B Q13224 2/20 0.56
SLC6A4 P31645 1/20 0.50
SLC6A3 Q01959 1/20 0.50
HSD11B1 P28845 1/20 0.50
HTR1A P08908 1/20 0.50
TMEM97 Q5BJF2 1/20 0.50
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49
TSHR P16473 1/20 0.49
HTT P42858 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49

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
SCHEMBL6585664 0.88 HTR2A (0.78) HTR2AKCNH2HTR2CDRD2SLC6A4
SCHEMBL6586494 0.88 HTR2A (0.78) HTR2AKCNH2HTR2CDRD2GRIN1
SCHEMBL6585537 0.85 HTR2A (0.73) HTR2AKCNH2HTR2CDRD2KDM4E
Hydrochloric Acid SCHEMBL9501099 0.80 LMNA (0.68) HTR2AKCNH2HTR2CHSD11B1KDM4E
SCHEMBL28214351 0.78 HTR2A (0.63) HTR2AKCNH2HTR2CDRD2
SCHEMBL5211501 0.78 HTR2A (0.63) HTR2AKCNH2HTR2CDRD2GRIN2B
SCHEMBL29280885 0.77 HTR2A (0.62) HTR2AKCNH2HTR2CDRD2KDM4E
SCHEMBL7029502 0.77 HTR2A (0.82) HTR2AKCNH2HTR2CDRD2
SCHEMBL11791324 0.76 HTR2A (0.61) HTR2AKCNH2HTR2CDRD2SLC6A4
SCHEMBL29280915 0.76 HTR2A (0.61) HTR2AKCNH2HTR2CHTR1ATMEM97

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 1/4885KCNH2 461/4885HTR2C 3/4885

“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.