SCHEMBL1121996

SCHEMBL1121996

O=C(CN1CC(CS(=O)(=O)c2ccc(F)cc2)C1)c1ccc(F)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.52
HTR2C P28335 2/20 0.52
KCNH2 Q12809 1/20 0.52
HSD11B1 P28845 2/20 0.48
ALDH1A1 P00352 3/20 0.47
GAA P10253 2/20 0.47
TSHR P16473 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
CYP2C19 P33261 1/20 0.47
GRIN2B Q13224 5/20 0.47
GRIN1 Q05586 3/20 0.47
KDM4E B2RXH2 2/20 0.47
MAPT P10636 1/20 0.47
RECQL P46063 1/20 0.47
KMT2A Q03164 1/20 0.47
PAX8 Q06710 1/20 0.47

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
SCHEMBL1122016 0.94 HTR2A (0.47) HTR2AHTR2CKCNH2HSD11B1ALDH1A1
SCHEMBL1121710 0.94 HTR2A (0.47) HTR2AHTR2CKCNH2HSD11B1ALDH1A1
SCHEMBL1121987 0.93 HTR2A (0.58) HTR2AHTR2CKCNH2HSD11B1ALDH1A1
SCHEMBL1121499 0.91 GRIN2B (0.46) HTR2AHTR2CKCNH2HSD11B1ALDH1A1
SCHEMBL1121743 0.90 ALDH1A1 (0.47) HTR2AHTR2CKCNH2ALDH1A1GAA
SCHEMBL1121701 0.86 HSD11B1 (0.45) HTR2AHTR2CKCNH2HSD11B1ALDH1A1
SCHEMBL1121785 0.86 HTR2A (0.48) HTR2AHTR2CKCNH2HSD11B1ALDH1A1
SCHEMBL5803445 0.85 DRD2 (0.57) HTR2AKCNH2TSHRCYP2D6KDM4E
SCHEMBL5827109 0.85 GRIN2B (0.47) HTR2AHTR2CKCNH2HSD11B1ALDH1A1
SCHEMBL5827146 0.85 HTR2A (0.49) HTR2AHTR2CKCNH2HSD11B1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070299048-A1 Combination of Gaboxadol and 5Ht2 Antagonists H. LUNDBECK A/S (DK) 2007-12-27 US claimed
US-7094777-B2 5-HT2A receptor ligands MERK SHARP & DOHME LTD. 2006-08-22 US claimed
US-20050101586-A1 Novel 5-HT2A receptor ligands MERCK SHARP & DOHME LTD. (GB) 2005-05-12 US claimed
EP-1685100-B1 NOVEL 1, 3-DISUBSTITUTED AZETIDINE DERIVATIVES FOR USE AS 5HT2A RECEPTOR LIGANDS MERCK SHARP & DOHME (GB) 2011-02-09 EP disclosed
US-20070299048-A1 Combination of Gaboxadol and 5Ht2 Antagonists H. LUNDBECK A/S (DK) 2007-12-27 US disclosed
US-20070203119-A1 Combination Therapy For The Treatment Of Schizophrenia MERCK SHARPE & DOHME LIMITED (GB) 2007-08-30 US disclosed
US-7094777-B2 5-HT2A receptor ligands MERK SHARP & DOHME LTD. 2006-08-22 US disclosed
US-20050101586-A1 Novel 5-HT2A receptor ligands MERCK SHARP & DOHME LTD. (GB) 2005-05-12 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 (3 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-20050101586-A1 Novel 5-HT2A receptor ligands HTR2A, HTR1A, HTR5A HTR2A 1/4885HTR2C 4/4885KCNH2 651/4885
US-20070299048-A1 Combination of Gaboxadol and 5Ht2 Antagonists HTR2C, HTR2A, HTR3B HTR2A 2/4885HTR2C 1/4885KCNH2 639/4885
US-20070203119-A1 Combination Therapy For The Treatment Of Schizophrenia HTR3B, HTR3A, TACR2 HTR2A 4/4885HTR2C 7/4885KCNH2 173/4885

“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.