SCHEMBL6098231

SCHEMBL6098231

CC(C)(C)OC(=O)n1cc(C2CCCN(CCCC(C)(C)S(=O)(=O)c3ccccc3)C2)c2ccccc21

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 6/20 0.60
DRD2 P14416 6/20 0.60
HTR1A P08908 3/20 0.60
HTR2A P28223 3/20 0.60
HTR1B P28222 1/20 0.60
SCN9A Q15858 1/20 0.41
ACHE P22303 1/20 0.40
HTR6 P50406 4/20 0.40
BCHE P06276 1/20 0.40
EPHX1 P07099 1/20 0.40
PIM1 P11309 1/20 0.38
MARK3 P27448 1/20 0.38
MAP4K2 Q12851 1/20 0.38
CAMK2B Q13554 1/20 0.38
PIM3 Q86V86 1/20 0.38
PIM2 Q9P1W9 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
DRD1 P21728 1/20 0.38
DRD4 P21917 1/20 0.38
DRD5 P21918 1/20 0.38

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
SCHEMBL6095073 0.87 HTR7 (0.54) HTR7DRD2HTR1AHTR2AHTR1B
SCHEMBL31358176 0.78 SCN9A (0.53) SCN9AACHEHTR6BCHEEPHX1
SCHEMBL6098239 0.77 EPHX1 (0.41) SCN9AACHEHTR6BCHEEPHX1
SCHEMBL6095461 0.76 HTR7 (0.76) HTR7DRD2HTR1AHTR2AHTR1B
SCHEMBL6096737 0.76 HTR1A (0.68) HTR7DRD2HTR1AHTR2AHTR1B
Oxalic Acid SCHEMBL6100151 0.74 HTR6 (0.53) ACHEHTR6EPHX1PIM1MARK3
SCHEMBL587407 0.74 L3MBTL1 (0.53) SCN9AACHEHTR6EPHX1PIM1
SCHEMBL6099708 0.73 HTR7 (0.75) HTR7DRD2HTR1AHTR2AHTR1B
SCHEMBL6097054 0.72 HTR7 (0.72) HTR7DRD2HTR1AHTR2AHTR1B
SCHEMBL6095431 0.72 HTR7 (0.72) 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.