SCHEMBL3206620

SCHEMBL3206620

O=C(O)NC1CC=C(c2cn(S(=O)(=O)c3cccc4c3CCO4)c3cccnc23)CC1

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.34
ALDH1A1 P00352 2/20 0.33
GFER P55789 1/20 0.33
HTT P42858 1/20 0.33
DRD2 P14416 5/20 0.32
HTR2A P28223 5/20 0.32
DRD3 P35462 5/20 0.32
MTNR1A P48039 6/20 0.32
MTNR1B P49286 6/20 0.32
PDE10A Q9Y233 1/20 0.32
HTR6 P50406 1/20 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
SCHEMBL3225548 0.85 HTR6 (0.34) ALDH1A1HTTDRD2HTR2ADRD3
SCHEMBL3217881 0.83 HTR6 (0.35) DRD2HTR2APDE10AHTR6
SCHEMBL3215962 0.83 ALOX15 (0.34) ALDH1A1HTTDRD2HTR2ADRD3
SCHEMBL3214873 0.83 HTR6 (0.34) ALDH1A1HTTDRD2HTR2ADRD3
SCHEMBL13424901 0.77 ALDH1A1 (0.34) ALDH1A1HTTDRD2HTR2AHTR6
SCHEMBL3215933 0.73 HTR6 (0.34) DRD2HTR2ADRD3PDE10AHTR6
SCHEMBL3217661 0.72 MTNR1A (0.41) MTNR1AMTNR1B
SCHEMBL3225017 0.71 HTR6 (0.33) ALDH1A1HTTDRD2HTR2ADRD3
SCHEMBL3221756 0.71 HTR6 (0.35) ALDH1A1HTTDRD2HTR2AMTNR1A
SCHEMBL3222807 0.70 MTNR1A (0.42) DRD2HTR2ADRD3MTNR1AMTNR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100056491-A1 4'-AMINO CYCLIC COMPOUNDS HAVING 5-HT6 RECEPTOR AFFINITY MEMORY PHARMACEUTICALS CORPORATION (US) 2010-03-04 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-20100056491-A1 4'-AMINO CYCLIC COMPOUNDS HAVING 5-HT6 RECEPTOR AFFINITY HTR6, HTR4, HTR3B TSHR 317/4885ALDH1A1 1900/4885GFER 1251/4885

“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.