SCHEMBL3225580

SCHEMBL3225580

CN(C(=O)OC(C)(C)C)C1CC=C(c2c[nH]c3cccnc23)CC1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 10/20 0.45
SLC6A2 P23975 4/20 0.39
SLC6A3 Q01959 3/20 0.39
AAK1 Q2M2I8 1/20 0.37
NOS3 P29474 2/20 0.36
NOS1 P29475 2/20 0.36
NOS2 P35228 1/20 0.36
PDE10A Q9Y233 1/20 0.34
HTR1D P28221 3/20 0.33
GPR119 Q8TDV5 1/20 0.33
BUB1 O43683 1/20 0.33
KDR P35968 1/20 0.32
FLT3 P36888 1/20 0.32
GSK3B P49841 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
SCHEMBL3211296 0.82 SLC6A4 (0.45) SLC6A4SLC6A2SLC6A3NOS3NOS1
SCHEMBL3227327 0.81 SLC6A4 (0.66) SLC6A4SLC6A2SLC6A3NOS3NOS1
SCHEMBL7951141 0.80 HTR1D (0.41) HTR1D
SCHEMBL3264686 0.79 SLC6A4 (0.54) SLC6A4SLC6A2SLC6A3NOS3NOS1
SCHEMBL12253734 0.79 SLC6A4 (0.54) SLC6A4SLC6A2SLC6A3NOS3NOS1
SCHEMBL3225298 0.77 AAK1 (0.46) AAK1PDE10AGPR119
SCHEMBL12253720 0.76 SLC6A4 (0.72) SLC6A4SLC6A2SLC6A3NOS3NOS1
SCHEMBL2946165 0.76 SLC6A4 (0.72) SLC6A4SLC6A2SLC6A3NOS3NOS1
SCHEMBL12367635 0.75 SLC6A4 (0.61) SLC6A4SLC6A2SLC6A3NOS3NOS1
SCHEMBL3653965 0.74 HTR1D (0.41) SLC6A4PDE10AHTR1DKDRFLT3

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 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
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 SLC6A4 24/4885SLC6A2 132/4885SLC6A3 145/4885

“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.