SCHEMBL3222835

SCHEMBL3222835

CN1CCOc2cc(S(=O)(=O)n3cc(N4CCC(N)CC4)c4ncccc43)ccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGES2 Q9H7Z7 1/20 0.41
HCRTR1 O43613 1/20 0.39
HCRTR2 O43614 1/20 0.39
ALDH1A1 P00352 2/20 0.39
HTT P42858 1/20 0.39
RECQL P46063 1/20 0.39
GBA1 P04062 1/20 0.38
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
LMNA P02545 1/20 0.37
EIF2AK3 Q9NZJ5 1/20 0.37
PKM P14618 3/20 0.36
PKLR P30613 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SCN9A Q15858 2/20 0.36
HDAC3 O15379 2/20 0.35
HDAC4 P56524 2/20 0.35
HDAC1 Q13547 2/20 0.35
HDAC7 Q8WUI4 2/20 0.35

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
SCHEMBL3622199 0.88 HTR6 (0.43) PTGES2ALDH1A1HTTRECQLGBA1
SCHEMBL3205868 0.86 AKT1 (0.37) ALDH1A1PKMPKLRRAB9ASCN9A
SCHEMBL7952924 0.83 PKM (0.33) ALDH1A1HTTLMNAPKMPKLR
SCHEMBL3338368 0.82 HTR6 (0.42) PTGES2HCRTR1HCRTR2ALDH1A1HTT
SCHEMBL3621987 0.81 HTR6 (0.46) PKMPKLRNPC1RAB9AHTR6
SCHEMBL3215236 0.81 HTR6 (0.42) PTGES2HCRTR1HCRTR2ALDH1A1HTT
SCHEMBL3335965 0.80 HTR6 (0.46) PTGES2HCRTR1HCRTR2ALDH1A1HTT
Iodide SCHEMBL3614299 0.80 HTR6 (0.46) PTGES2HCRTR1HCRTR2ALDH1A1HTT
SCHEMBL3213827 0.79 HTR6 (0.49) ALDH1A1CYP3A4CYP2D6HTR6
SCHEMBL3203594 0.79 HTR6 (0.42) PTGES2HCRTR1HCRTR2ALDH1A1HTT

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 5 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
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 PTGES2 1353/4885HCRTR1 260/4885HCRTR2 284/4885

“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.