SCHEMBL6096953

SCHEMBL6096953

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

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 11/20 0.42
PSEN1 P49768 1/20 0.38
PSEN2 P49810 1/20 0.38
APH1B Q8WW43 1/20 0.38
NCSTN Q92542 1/20 0.38
APH1A Q96BI3 1/20 0.38
PSENEN Q9NZ42 1/20 0.38
HTR1A P08908 2/20 0.37
HTR2A P28223 2/20 0.37
DRD2 P14416 1/20 0.34
SLC6A4 P31645 1/20 0.34
HRH1 P35367 1/20 0.34
DRD3 P35462 1/20 0.34
HTR2B P41595 1/20 0.34
CHRM2 P08172 1/20 0.34
CHRM1 P11229 1/20 0.34
HTR5A P47898 1/20 0.34
KDM4E B2RXH2 1/20 0.34

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 SCHEMBL6094812 0.86 HTR7 (0.44) HTR7PSEN1PSEN2APH1BNCSTN
SCHEMBL6099029 0.79 SMN1; SMN2 (0.41) HTR7HTR1AHTR2A
Hydrochloric Acid SCHEMBL6098379 0.78 SMN1; SMN2 (0.40) HTR7HTR1AHTR2A
SCHEMBL6097974 0.72 HTR7 (0.57) HTR7HTR1AHTR2ADRD2KDM4E
SCHEMBL6097198 0.72 HTR7 (0.57) HTR7HTR1AHTR2A
SCHEMBL6099021 0.71 HTR7 (0.44) HTR7HTR1AHTR2ADRD2SLC6A4
SCHEMBL6096948 0.71 HTR7 (0.43) HTR7HTR1AHTR2ADRD2KDM4E
Hydrochloric Acid SCHEMBL6098375 0.70 HTR7 (0.43) HTR7HTR1AHTR2ADRD2SLC6A4
SCHEMBL6096523 0.69 HTR7 (0.44) HTR7HTR1AHTR2ADRD2KDM4E
SCHEMBL6097980 0.68 KDM4E (0.36) CHRM2CHRM1KDM4E

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 1/4885PSEN1 1955/4885PSEN2 1438/4885

“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.