SCHEMBL6096322

SCHEMBL6096322

CC(C)CCC(N1CCC(c2ccccc2)C1)S(=O)(=O)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 11/20 0.43
HTR7 P34969 4/20 0.42
OPRM1 P35372 1/20 0.41
HTR1A P08908 1/20 0.41
DRD2 P14416 1/20 0.41
HTR1B P28222 1/20 0.41
HTR2A P28223 1/20 0.41
KCNH2 Q12809 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
GRM2 Q14416 1/20 0.39

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
SCHEMBL6098065 0.84 ALDH1A1 (0.47) HTR7HTR1ADRD2HTR1BHTR2A
SCHEMBL6096963 0.81 HTR7 (0.46) HTR7HTR1ADRD2HTR2A
SCHEMBL6095903 0.81 CCR5 (0.40) CCR5HTR7HTR1ADRD2HTR1B
SCHEMBL6098434 0.81 DRD2 (0.37) CCR5HTR7HTR1ADRD2HTR1B
SCHEMBL6097490 0.80 CYP2D6 (0.34) CCR5
SCHEMBL6095467 0.79 RORC (0.46)
SCHEMBL6096220 0.79 RORC (0.37)
SCHEMBL6096991 0.78 KDM4E (0.34) CCR5HTR7HTR1ADRD2HTR1B
SCHEMBL6099635 0.78 LMNA (0.45) CCR5HTR7HTR1ADRD2HTR1B
SCHEMBL6095722 0.78 ALDH1A1 (0.37) HTR7HTR1ADRD2HTR1BHTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040229864-A1 Sulfone derivatives as 5-HT7 receptor ligands MERCK SHARP & DOHME LTD. (GB) 2004-11-18 US claimed
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 CCR5 606/4885HTR7 1/4885OPRM1 66/4885

“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.