SCHEMBL6095936

SCHEMBL6095936

CC(C)CCC(N1CCCC(C(C)(F)F)C1)S(=O)(=O)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 3/20 0.43
GAA P10253 2/20 0.37
HPGD P15428 1/20 0.37
HTR1A P08908 2/20 0.35
DRD2 P14416 2/20 0.35
HTR2A P28223 2/20 0.35
HTR1B P28222 1/20 0.35
KMT2A Q03164 1/20 0.35
NR1H2 P55055 2/20 0.33
RORC P51449 2/20 0.33
CRHBP P24387 1/20 0.33
CRHR2 Q13324 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33
POLB P06746 1/20 0.33
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL6095467 0.81 RORC (0.46) GAAKMT2ARORCKDM4E
SCHEMBL6097505 0.80 RORC (0.34) HTR7GAAHTR1ADRD2HTR2A
SCHEMBL6097882 0.80 RORC (0.34) HTR7GAAHTR1ADRD2HTR2A
SCHEMBL6098125 0.80 FABP6 (0.36) HTR7RORCKDM4E
SCHEMBL6095436 0.80 CYP2C19 (0.41) GAAKMT2ARORCCHRM2CHRM1
SCHEMBL6097057 0.80 RORC (0.41) RORCKDM4E
SCHEMBL6097245 0.79 RORC (0.43) GAAHPGDKMT2ARORCKDM4E
Hydrochloric Acid SCHEMBL6097193 0.79 CYP2C19 (0.40) GAAKMT2ARORCCHRM2CHRM1
SCHEMBL6097159 0.79 CYP2D6 (0.35) KMT2ARORCCHRM2CHRM1KDM4E
SCHEMBL6098385 0.78 CASP3 (0.38) GAAHPGDKMT2ARORCPOLB

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 1/4885GAA 4655/4885HPGD 3454/4885

“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.