SCHEMBL6096487

SCHEMBL6096487

CC(C)CCC(N1CCCC(=O)C1)S(=O)(=O)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.39
RCE1 Q9Y256 1/20 0.35
TSHR P16473 3/20 0.34
MCL1 Q07820 1/20 0.34
ALDH1A1 P00352 3/20 0.34
GAA P10253 2/20 0.34
KMT2A Q03164 2/20 0.34
CYP2D6 P10635 3/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A3 Q01959 1/20 0.33
USP2 O75604 2/20 0.33
CYP3A4 P08684 2/20 0.33
OPRM1 P35372 1/20 0.33
OPRD1 P41143 1/20 0.33
OPRK1 P41145 1/20 0.33
OPRL1 P41146 1/20 0.33
CYP2C19 P33261 1/20 0.33
CHRM2 P08172 2/20 0.33
CHRM1 P11229 2/20 0.33
RORC P51449 1/20 0.32

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
SCHEMBL6095827 0.82 RORC (0.35) KDM4ERCE1TSHRALDH1A1GAA
SCHEMBL6097283 0.81 MEN1 (0.46) KDM4ETSHRALDH1A1GAAKMT2A
SCHEMBL6097980 0.81 KDM4E (0.36) KDM4ETSHRMCL1ALDH1A1GAA
SCHEMBL6099117 0.78 HSD11B1 (0.40) KDM4ETSHRALDH1A1GAAKMT2A
SCHEMBL6095467 0.77 RORC (0.46) KDM4EALDH1A1GAAKMT2ACYP2C19
SCHEMBL6096318 0.77 KDM4E (0.35) KDM4ETSHRMCL1ALDH1A1GAA
SCHEMBL6097505 0.75 RORC (0.34) KDM4ETSHRALDH1A1GAAKMT2A
SCHEMBL6098125 0.75 FABP6 (0.36) KDM4ETSHRALDH1A1RORC
SCHEMBL6097057 0.75 RORC (0.41) KDM4ETSHRCYP2C19RORC
SCHEMBL6097882 0.75 RORC (0.34) KDM4ETSHRALDH1A1GAAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7101892-B2 Sulfone derivatives as 5-HT7 receptor ligands MERCK SHARP & DOHME LTD. 2006-09-05 US disclosed
US-20040229864-A1 Sulfone derivatives as 5-HT7 receptor ligands MERCK SHARP & DOHME LTD. (GB) 2004-11-18 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-20040229864-A1 Sulfone derivatives as 5-HT7 receptor ligands HTR7, HTR2C, HTR1A KDM4E 2306/4885RCE1 3136/4885TSHR 88/4885

“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.