SCHEMBL6097989

SCHEMBL6097989

COc1cccc(C2=CCCN(CCCC(C)(C)S(=O)(=O)c3ccccc3)C2)c1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 7/20 0.46
DRD2 P14416 4/20 0.46
HTR1A P08908 4/20 0.46
HTR2A P28223 3/20 0.46
HTR1B P28222 1/20 0.46
HSD11B1 P28845 1/20 0.40
PARP1 P09874 1/20 0.39
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
TSHR P16473 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38
SIGMAR1 Q99720 2/20 0.38
ABCB1 P08183 1/20 0.38
ABCC1 P33527 1/20 0.38
HTR6 P50406 2/20 0.37

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
SCHEMBL6096432 0.90 HTR7 (0.48) HTR7DRD2HTR1AHTR2AHTR1B
SCHEMBL6099111 0.89 HTR7 (0.54) HTR7DRD2HTR1AHTR2AHTR1B
SCHEMBL6097353 0.80 HTR7 (0.48) HTR7DRD2HTR1AHTR2AHTR1B
SCHEMBL6097302 0.80 HTR7 (0.47) HTR7DRD2HTR1AHTR2AHTR1B
SCHEMBL6097605 0.79 HTR7 (0.48) HTR7DRD2HTR1AHTR2AHTR1B
SCHEMBL6098891 0.77 HTR7 (0.48) HTR7DRD2HTR1AHTR2AHTR1B
SCHEMBL6096314 0.77 HTR7 (0.55) HTR7DRD2HTR1AHTR2AHTR1B
SCHEMBL11193322 0.77 SIGMAR1 (0.56) HTR1ASIGMAR1
SCHEMBL11198743 0.77 DRD2 (0.52) DRD2HTR1ASIGMAR1ABCB1ABCC1
SCHEMBL3314947 0.74 SIGMAR1 (0.61) DRD2HTR1AKDM4EMEN1ALDH1A1

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 1/4885DRD2 74/4885HTR1A 3/4885

“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.