SCHEMBL6097398

SCHEMBL6097398

O=S(=O)(c1ccccc1)C1(CCCBr)CCC1

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 10/20 0.63
HTR1A P08908 2/20 0.55
HTR2A P28223 2/20 0.55
GAA P10253 1/20 0.47
MCOLN3 Q8TDD5 1/20 0.47
TLR9 Q9NR96 1/20 0.35
PSEN1 P49768 2/20 0.35
PSEN2 P49810 2/20 0.35
APH1B Q8WW43 2/20 0.35
NCSTN Q92542 2/20 0.35
APH1A Q96BI3 2/20 0.35
PSENEN Q9NZ42 2/20 0.35
ITGB1 P05556 1/20 0.33
ITGA4 P13612 1/20 0.33
RORC P51449 1/20 0.33
MAPT P10636 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
PSIP1 O75475 1/20 0.32

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
SCHEMBL6099295 0.95 HTR7 (0.62) HTR7HTR1AHTR2AGAAMCOLN3
SCHEMBL6097493 0.93 HTR7 (0.55) HTR7HTR1AHTR2AGAAMCOLN3
SCHEMBL6099939 0.77 CA1 (0.41) HTR7HTR1AHTR2AITGB1ITGA4
SCHEMBL8391526 0.76 HTR7 (0.54) HTR7HTR1AHTR2AGAAMCOLN3
SCHEMBL8394064 0.73 GAA (0.58) HTR7HTR1AHTR2AGAAMCOLN3
SCHEMBL3406334 0.73 GAA (0.58) HTR7HTR1AHTR2AGAAMCOLN3
SCHEMBL6097629 0.72 HTR7 (1.00) HTR7HTR1AHTR2A
SCHEMBL8392589 0.71 GAA (0.56) HTR7HTR1AHTR2AGAAMCOLN3
SCHEMBL8396373 0.71 GAA (0.56) HTR7HTR1AHTR2AGAAMCOLN3
SCHEMBL6099006 0.71 HTR7 (1.00) HTR7HTR1AHTR2AGAA

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 1/4885HTR1A 3/4885HTR2A 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.