SCHEMBL1532498

SCHEMBL1532498

c1ccc2c(NCCCCCCCCCNc3c4ccccc4nc4ccccc34)c3c(nc2c1)CCCC3

nearest known ligand 0.95

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 11/20 0.95
BCHE P06276 10/20 0.95
APP P05067 2/20 0.95
BACE1 P56817 2/20 0.95
GABRP O00591 1/20 0.95
GABRD O14764 1/20 0.95
GABRA1 P14867 1/20 0.95
GABRB1 P18505 1/20 0.95
GABRG2 P18507 1/20 0.95
GABRB3 P28472 1/20 0.95
GABRA5 P31644 1/20 0.95
GABRA3 P34903 1/20 0.95
GABRA2 P47869 1/20 0.95
GABRB2 P47870 1/20 0.95
GABRA4 P48169 1/20 0.95
GABRE P78334 1/20 0.95
GABRA6 Q16445 1/20 0.95
GABRG1 Q8N1C3 1/20 0.95
GABRG3 Q99928 1/20 0.95
GABRQ Q9UN88 1/20 0.95

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
SCHEMBL29869028 1.00 ACHE (0.95) ACHEBCHEAPPBACE1GABRP
SCHEMBL15168191 0.97 ACHE (1.00) ACHEBCHEAPPBACE1GABRP
SCHEMBL29486236 0.97 ACHE (1.00) ACHEBCHEAPPBACE1GABRP
SCHEMBL24164216 0.97 ACHE (1.00) ACHEBCHEAPPBACE1GABRP
SCHEMBL12059555 0.97 ACHE (1.00) ACHEBCHEAPPBACE1GABRP
Hydrochloric Acid SCHEMBL29711388 0.96 BCHE (1.00) ACHEBCHEAPPBACE1GABRP
SCHEMBL24000133 0.96 BCHE (0.97) ACHEBCHEAPPBACE1GABRP
SCHEMBL13480729 0.93 BCHE (0.92) ACHEBCHEAPPBACE1GABRP
SCHEMBL8520784 0.91 ACHE (0.88) ACHEBCHEAPPBACE1GABRP
SCHEMBL5945380 0.91 ACHE (1.00) ACHEBCHEAPPBACE1GABRP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4652054-B2 2011-03-16 JP claimed
JP-2006514922-A 2006-05-18 JP claimed
EP-1558255-A2 DUAL BINDING SITE ACETYLCHOLINESTERASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE Neuropharma, S.A. (ES) 2005-08-03 EP claimed
WO-2004032929-A2 DUAL BINDING SITE ACETYLCHOLINESTERASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER’S DISEASE NEUROPHARMA, S.A. (ES) 2004-04-22 WO claimed
US-20060142323-A1 Dual binding site acetylcholinesterase inhibitors for the treatment of alzheimer's disease NEUROPHARMA, S.A. (ES) 2006-06-29 US disclosed
EP-1558255-A2 DUAL BINDING SITE ACETYLCHOLINESTERASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE Neuropharma, S.A. (ES) 2005-08-03 EP disclosed
WO-2004032929-A2 DUAL BINDING SITE ACETYLCHOLINESTERASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER’S DISEASE NEUROPHARMA, S.A. (ES) 2004-04-22 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-20060142323-A1 Dual binding site acetylcholinesterase inhibitors for the treatment of alzheimer's disease ACHE, PSEN2, CHAT ACHE 1/4885BCHE 7/4885APP 160/4885

“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.