SCHEMBL6097247

SCHEMBL6097247

CCOCC1CCCN(C(CCC(C)C)S(=O)(=O)c2ccccc2)C1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.38
RORC P51449 2/20 0.34
CHRM5 P08912 2/20 0.34
PRKDC P78527 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
ALDH1A1 P00352 2/20 0.33
BCHE P06276 1/20 0.33
ACHE P22303 1/20 0.33
CCR5 P51681 2/20 0.33
PKM P14618 1/20 0.33
LMNA P02545 1/20 0.33
ACE P12821 1/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA4 P43681 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33
HTR7 P34969 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
SCHEMBL6095436 0.84 CYP2C19 (0.41) CYP2C19RORCKMT2AALDH1A1CHRM2
Hydrochloric Acid SCHEMBL6097193 0.84 CYP2C19 (0.40) CYP2C19RORCKMT2AALDH1A1CHRM2
SCHEMBL6097057 0.82 RORC (0.41) CYP2C19RORCCHRM5
SCHEMBL6098385 0.81 CASP3 (0.38) RORCMEN1KMT2AALDH1A1CCR5
SCHEMBL6097882 0.80 RORC (0.34) CYP2C19RORCMEN1KMT2AALDH1A1
SCHEMBL6095467 0.80 RORC (0.46) CYP2C19RORCMEN1KMT2AALDH1A1
SCHEMBL6098038 0.79 TAAR1 (0.38) CYP2C19RORCMEN1KMT2ALMNA
SCHEMBL6097505 0.78 RORC (0.34) CYP2C19RORCMEN1KMT2AALDH1A1
SCHEMBL6098125 0.78 FABP6 (0.36) RORCALDH1A1HTR7
SCHEMBL6098065 0.77 ALDH1A1 (0.47) CHRM5MEN1KMT2AALDH1A1LMNA

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 CYP2C19 446/4885RORC 669/4885CHRM5 112/4885

“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.