SCHEMBL1121933

SCHEMBL1121933

CC(C)(C)OC(=O)N1CC(CS(=O)(=O)c2ccc(F)cc2)C1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 1/20 0.47
NAMPT P43490 1/20 0.46
GPR119 Q8TDV5 8/20 0.45
KAT5 Q92993 2/20 0.44
KAT6A Q92794 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC2 Q92769 1/20 0.44
RORC P51449 2/20 0.44
NR1H2 P55055 1/20 0.44
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
KAT8 Q9H7Z6 1/20 0.42

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
SCHEMBL31540197 0.88 KMT2A (0.51) MMP13NAMPTGPR119KAT5KAT6A
SCHEMBL15103494 0.88 GPR119 (0.56) MMP13GPR119MEN1KMT2A
SCHEMBL1121726 0.84 GPR119 (0.48) NAMPTGPR119KAT5KAT6ANR1H2
SCHEMBL28495505 0.82 MMP13 (0.44) MMP13GPR119RORC
SCHEMBL7607099 0.81 GPR119 (0.57) MMP13GPR119MEN1KMT2A
SCHEMBL17296109 0.80 NAMPT (0.48) NAMPTHDAC1HDAC2RORCNR1H2
SCHEMBL1121841 0.79 MMP2 (0.44) KMT2A
SCHEMBL418484 0.79 GPR119 (0.53) MMP13GPR119MEN1KMT2A
SCHEMBL8108181 0.79 GPR119 (0.53) MMP13GPR119MEN1KMT2A
SCHEMBL1121749 0.79 MMP13 (0.47) MMP13GPR119HDAC1HDAC2RORC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-7094777-B2 5-HT2A receptor ligands MERK SHARP & DOHME LTD. 2006-08-22 US disclosed
EP-1685100-A1 NOVEL 1, 3-DISUBSTITUTED AZETIDINE DERIVATIVES FOR USE AS 5HT2A RECEPTOR LIGANDS Merck Sharp & Dohme Limited (GB) 2006-08-02 EP disclosed
WO-2005047247-A1 NOVEL1,3-DISUBSTITUTED AZETIDINE DERIVATIVES FOR USE AS 5HT2A RECEPTOR LIGANDS MERCK SHARP & DOHME LIMITED (GB) 2005-05-26 WO disclosed
WO-2005047246-A1 NOVEL 1, 3-DISUBSTITUTED AZETIDINE DEIVATIVES FOR USE AS 5HT2A RECEPTOR LIGANDS MERCK SHARP & DOHME LIMITED (GB) 2005-05-26 WO 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 (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-20050101586-A1 Novel 5-HT2A receptor ligands HTR2A, HTR1A, HTR5A MMP13 4450/4885NAMPT 3844/4885GPR119 114/4885

“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.