SCHEMBL6096963

SCHEMBL6096963

CC(C)CCC(N1CCC2CCCCC2C1)S(=O)(=O)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 3/20 0.46
HTR1A P08908 2/20 0.45
HTR2A P28223 2/20 0.45
DRD2 P14416 1/20 0.45
CHRM2 P08172 1/20 0.37
CHRM1 P11229 1/20 0.37
RORC P51449 1/20 0.36
ALDH1A1 P00352 2/20 0.36
GAA P10253 2/20 0.36
KMT2A Q03164 1/20 0.36
TSHR P16473 1/20 0.35
CNR2 P34972 1/20 0.35
KDM4E B2RXH2 1/20 0.35
CYP2D6 P10635 2/20 0.35
TP53 P04637 1/20 0.35
HPGD P15428 1/20 0.35

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
SCHEMBL6096322 0.81 CCR5 (0.43) HTR7HTR1AHTR2ADRD2
SCHEMBL6095467 0.81 RORC (0.46) RORCALDH1A1GAAKMT2AKDM4E
SCHEMBL6095436 0.79 CYP2C19 (0.41) CHRM2CHRM1RORCALDH1A1GAA
SCHEMBL6097057 0.79 RORC (0.41) RORCTSHRKDM4E
SCHEMBL6098125 0.79 FABP6 (0.36) HTR7RORCALDH1A1TSHRKDM4E
SCHEMBL6097505 0.79 RORC (0.34) HTR7HTR1AHTR2ADRD2CHRM2
SCHEMBL6097882 0.79 RORC (0.34) HTR7HTR1AHTR2ADRD2CHRM2
SCHEMBL6096220 0.78 RORC (0.37) CHRM2CHRM1RORCALDH1A1GAA
Hydrochloric Acid SCHEMBL6097193 0.78 CYP2C19 (0.40) CHRM2CHRM1RORCALDH1A1GAA
SCHEMBL6097245 0.78 RORC (0.43) RORCALDH1A1GAAKMT2ATSHR

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 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.