SCHEMBL6097747

SCHEMBL6097747

CC(C)C(OC(=O)C(F)(F)F)C1CCCN(CCCC(C)(C)S(=O)(=O)c2ccccc2)C1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 6/20 0.61
DRD2 P14416 6/20 0.58
HTR1A P08908 3/20 0.58
HTR2A P28223 3/20 0.58
HTR1B P28222 1/20 0.58
DRD1 P21728 2/20 0.35
DRD4 P21917 2/20 0.35
DRD5 P21918 2/20 0.35
DRD3 P35462 2/20 0.35
SFRP1 Q8N474 3/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
WNT3 P56703 1/20 0.34

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
SCHEMBL6097568 0.90 HTR7 (0.62) HTR7DRD2HTR1AHTR2AHTR1B
Trifluoroacetic Acid SCHEMBL6097741 0.85 HTR7 (0.64) HTR7DRD2HTR1AHTR2AHTR1B
Trifluoroacetic Acid SCHEMBL6097563 0.84 HTR7 (0.65) HTR7DRD2HTR1AHTR2AHTR1B
Trifluoroacetic Acid SCHEMBL6097567 0.79 HTR7 (0.67) HTR7DRD2HTR1AHTR2AHTR1B
SCHEMBL6098035 0.78 HTR7 (0.69) HTR7DRD2HTR1AHTR2AHTR1B
Trifluoroacetic Acid SCHEMBL6096938 0.77 HTR7 (0.69) HTR7DRD2HTR1AHTR2AHTR1B
SCHEMBL6095930 0.76 HTR7 (0.88) HTR7DRD2HTR1AHTR2AHTR1B
SCHEMBL6095461 0.76 HTR7 (0.76) HTR7DRD2HTR1AHTR2AHTR1B
SCHEMBL6098554 0.75 HTR7 (0.65) HTR7DRD2HTR1AHTR2AHTR1B
SCHEMBL6099708 0.75 HTR7 (0.75) HTR7DRD2HTR1AHTR2AHTR1B

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 74/4885HTR1A 3/4885

“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.