SCHEMBL6095073

SCHEMBL6095073

CC(C)(C)OC(=O)n1cc(CC2CCCN(CCCC(C)(C)S(=O)(=O)c3ccccc3)C2)c2ccccc21

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 6/20 0.54
DRD2 P14416 4/20 0.54
HTR1A P08908 3/20 0.54
HTR2A P28223 3/20 0.54
HTR1B P28222 1/20 0.54
EPHX1 P07099 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.42
HTR6 P50406 8/20 0.42
BCHE P06276 2/20 0.42
ACHE P22303 1/20 0.41
ADAM17 P78536 1/20 0.40

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
SCHEMBL6098231 0.87 HTR7 (0.60) HTR7DRD2HTR1AHTR2AHTR1B
SCHEMBL31302628 0.78 EPHX1 (0.54) EPHX1L3MBTL1HTR6BCHE
SCHEMBL31302652 0.78 EPHX1 (0.54) EPHX1L3MBTL1HTR6BCHE
SCHEMBL6095431 0.77 HTR7 (0.72) HTR7DRD2HTR1AHTR2AHTR1B
SCHEMBL6097068 0.76 HTR7 (0.61) HTR7DRD2HTR1AHTR2AHTR1B
SCHEMBL6095078 0.76 EPHX1 (0.46) EPHX1L3MBTL1HTR6BCHEACHE
Hydrochloric Acid SCHEMBL6097188 0.76 HTR7 (0.71) HTR7DRD2HTR1AHTR2AHTR1B
Hydrochloric Acid SCHEMBL6096471 0.76 HTR7 (0.60) HTR7DRD2HTR1AHTR2AHTR1B
SCHEMBL6097242 0.74 HTR7 (0.67) HTR7DRD2HTR1AHTR2AHTR1B
SCHEMBL6096791 0.73 EPHX1 (0.55) EPHX1L3MBTL1HTR6BCHEACHE

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.