SCHEMBL3216028

SCHEMBL3216028

NCCc1cn(S(=O)(=O)c2cccc3c2OCC3)c2cccnc12

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 13/20 0.42
AKR1C3 P42330 1/20 0.35
AKT1 P31749 1/20 0.35
PIK3CA P42336 1/20 0.35
MTOR P42345 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
TSHR P16473 1/20 0.34
NAMPT P43490 1/20 0.34
MET P08581 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
SCHEMBL3394937 0.91 HTR6 (0.38) HTR6AKR1C3AKT1PIK3CAMTOR
SCHEMBL3200614 0.88 HTR6 (0.41) HTR6AKR1C3AKT1PIK3CAMTOR
SCHEMBL3214156 0.88 HTR6 (0.41) HTR6
SCHEMBL3193370 0.87 HTR6 (0.44) HTR6AKR1C3AKT1PIK3CAMTOR
SCHEMBL3203444 0.84 HTR6 (0.42) HTR6L3MBTL1MET
SCHEMBL3181574 0.80 HTR6 (0.49) HTR6AKR1C3
SCHEMBL3193188 0.80 HTR6 (0.49) HTR6AKR1C3
SCHEMBL3204590 0.80 HTR6 (0.43) HTR6AKT1PIK3CA
SCHEMBL3208578 0.80 PPARG (0.46) HTR6
SCHEMBL3190967 0.80 HTR6 (0.50) HTR6

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
US-20100029629-A1 ACYCLIC COMPOUNDS HAVING 5-HT6 RECEPTOR AFFINITY MEMORY PHARMACEUTICALS CORPORATION (US) 2010-02-04 US claimed
US-20100029629-A1 ACYCLIC COMPOUNDS HAVING 5-HT6 RECEPTOR AFFINITY MEMORY PHARMACEUTICALS CORPORATION (US) 2010-02-04 US disclosed
US-20100029629-A1 ACYCLIC COMPOUNDS HAVING 5-HT6 RECEPTOR AFFINITY MEMORY PHARMACEUTICALS CORPORATION (US) 2010-02-04 US disclosed
US-20100029629-A1 ACYCLIC COMPOUNDS HAVING 5-HT6 RECEPTOR AFFINITY MEMORY PHARMACEUTICALS CORPORATION (US) 2010-02-04 US disclosed
WO-2010011546-A2 ACYCLIC COMPOUNDS HAVING 5-HT6 RECEPTOR AFFINITY MEMORY PHARMACEUTICALS CORPORATION (US) 2010-01-28 WO disclosed
WO-2010011546-A2 ACYCLIC COMPOUNDS HAVING 5-HT6 RECEPTOR AFFINITY MEMORY PHARMACEUTICALS CORPORATION (US) 2010-01-28 WO 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-20100029629-A1 ACYCLIC COMPOUNDS HAVING 5-HT6 RECEPTOR AFFINITY HTR6, HTR1A, HTR5A HTR6 1/4885AKR1C3 713/4885AKT1 802/4885

“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.