SCHEMBL3221335

SCHEMBL3221335

CN(C)C1CCN(c2cn(S(=O)(=O)c3cccc4c3CCO4)c3cccnc23)CC1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 1/20 0.35
CD274 Q9NZQ7 1/20 0.35
CYP2C9 P11712 1/20 0.35
CXCR4 P61073 1/20 0.35
MTNR1A P48039 10/20 0.35
MTNR1B P49286 10/20 0.35
ALOX15 P16050 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HTR6 P50406 3/20 0.33
HTR1A P08908 2/20 0.33
DRD2 P14416 2/20 0.33
HTR2A P28223 2/20 0.33
HTR7 P34969 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL3217329 0.92 MTNR1A (0.35) MTNR1AMTNR1BALOX15ALDH1A1HTR6
SCHEMBL3221756 0.89 HTR6 (0.35) MTNR1AMTNR1BALOX15ALDH1A1HTR6
SCHEMBL3217661 0.88 MTNR1A (0.41) MTNR1AMTNR1BALOX15
SCHEMBL3224173 0.86 ALDH1A1 (0.35) MTNR1AMTNR1BALOX15ALDH1A1HTR6
SCHEMBL3222807 0.86 MTNR1A (0.42) MTNR1AMTNR1BALOX15DRD2HTR2A
SCHEMBL3627280 0.85 HTR6 (0.45) HTR6HTR2AL3MBTL1
SCHEMBL3173604 0.82 HTR6 (0.36) MTNR1AMTNR1BALOX15HTR6
SCHEMBL3189384 0.82 HTR6 (0.36) MTNR1AMTNR1BALOX15HTR6
SCHEMBL3183373 0.82 HTR6 (0.36) MTNR1AMTNR1BALOX15HTR6
SCHEMBL3215142 0.81 HTR6 (0.39) CXCR4MTNR1AMTNR1BALOX15ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010024980-A1 4'-AMINO CYCLIC COMPOUNDS HAVING 5-HT6 RECEPTOR AFFINITY MEMORY PHARMACEUTICALS CORPORATION (US) 2010-03-04 WO claimed
US-20100056491-A1 4'-AMINO CYCLIC COMPOUNDS HAVING 5-HT6 RECEPTOR AFFINITY MEMORY PHARMACEUTICALS CORPORATION (US) 2010-03-04 US claimed
WO-2010024980-A1 4'-AMINO CYCLIC COMPOUNDS HAVING 5-HT6 RECEPTOR AFFINITY MEMORY PHARMACEUTICALS CORPORATION (US) 2010-03-04 WO disclosed
WO-2010024980-A1 4'-AMINO CYCLIC COMPOUNDS HAVING 5-HT6 RECEPTOR AFFINITY MEMORY PHARMACEUTICALS CORPORATION (US) 2010-03-04 WO disclosed
US-20100056491-A1 4'-AMINO CYCLIC COMPOUNDS HAVING 5-HT6 RECEPTOR AFFINITY MEMORY PHARMACEUTICALS CORPORATION (US) 2010-03-04 US disclosed
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 PDCD1 4845/4885CD274 4282/4885CYP2C9 699/4885

“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.