SCHEMBL6097979

SCHEMBL6097979

CC(C)(CCCN1CCCC(C#Cc2ccccc2)C1)S(=O)(=O)c1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 11/20 0.67
DRD2 P14416 6/20 0.67
HTR2A P28223 5/20 0.67
HTR1A P08908 4/20 0.67
HTR1B P28222 1/20 0.67
DRD3 P35462 2/20 0.39
SLC6A2 P23975 1/20 0.38
CHRNA1 P02708 1/20 0.36
CHRNG P07510 1/20 0.36
CHRNB1 P11230 1/20 0.36
CHRNB2 P17787 1/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
CHRNA7 P36544 1/20 0.36
CHRNA4 P43681 1/20 0.36
CHRND Q07001 1/20 0.36
KCNH2 Q12809 1/20 0.36

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
SCHEMBL6096983 0.90 HTR7 (0.73) HTR7DRD2HTR2AHTR1AHTR1B
SCHEMBL6097151 0.86 HTR7 (0.71) HTR7DRD2HTR2AHTR1AHTR1B
SCHEMBL6097241 0.86 HTR7 (0.71) HTR7DRD2HTR2AHTR1AHTR1B
SCHEMBL6095461 0.81 HTR7 (0.76) HTR7DRD2HTR2AHTR1AHTR1B
SCHEMBL6095431 0.79 HTR7 (0.72) HTR7DRD2HTR2AHTR1AHTR1B
SCHEMBL6095930 0.79 HTR7 (0.88) HTR7DRD2HTR2AHTR1AHTR1B
SCHEMBL6097876 0.79 HTR7 (0.72) HTR7DRD2HTR2AHTR1AHTR1B
SCHEMBL6097054 0.79 HTR7 (0.72) HTR7DRD2HTR2AHTR1AHTR1B
SCHEMBL6098117 0.79 HTR7 (0.72) HTR7DRD2HTR2AHTR1AHTR1B
SCHEMBL6097499 0.78 HTR7 (0.71) HTR7DRD2HTR2AHTR1AHTR1B

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 HTR7 1/4885DRD2 74/4885HTR2A 12/4885

“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.