SCHEMBL6097980

SCHEMBL6097980

CC1=C(C)CN(C(CCC(C)C)S(=O)(=O)c2ccccc2)CC1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.35
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.35
CACNA1B Q00975 1/20 0.35
APBA1 Q02410 1/20 0.35
GAA P10253 2/20 0.34
KMT2A Q03164 1/20 0.34
TSHR P16473 2/20 0.34
CYP2D6 P10635 2/20 0.34
CHRM2 P08172 3/20 0.33
CHRM1 P11229 3/20 0.33
LMNA P02545 1/20 0.33
MCL1 Q07820 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HTR6 P50406 1/20 0.32
RORC P51449 2/20 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
Hydrochloric Acid SCHEMBL6094819 0.85 MMP1 (0.40) KDM4EALDH1A1MAPTHTTCACNA1B
SCHEMBL6097283 0.85 MEN1 (0.46) KDM4EALDH1A1MAPTGAAKMT2A
SCHEMBL6096487 0.81 KDM4E (0.39) KDM4EALDH1A1MAPTGAAKMT2A
SCHEMBL6099117 0.79 HSD11B1 (0.40) KDM4EALDH1A1GAAKMT2ATSHR
SCHEMBL6096318 0.78 KDM4E (0.35) KDM4EALDH1A1GAAKMT2ATSHR
SCHEMBL6095827 0.76 RORC (0.35) KDM4EALDH1A1GAAKMT2ATSHR
SCHEMBL6096963 0.75 HTR7 (0.46) KDM4EALDH1A1GAAKMT2ATSHR
SCHEMBL6096322 0.73 CCR5 (0.43)
SCHEMBL6096437 0.73 HSD11B1 (0.47) ALDH1A1MAPTHTTLMNA
SCHEMBL6095524 0.73 KDM4E (0.47) KDM4EALDH1A1MAPTGAATSHR

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040229864-A1 Sulfone derivatives as 5-HT7 receptor ligands MERCK SHARP & DOHME LTD. (GB) 2004-11-18 US claimed
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 KDM4E 2306/4885ALDH1A1 1138/4885MAPT 4269/4885

“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.