SCHEMBL609576

SCHEMBL609576

C#CCN(C)Cc1ccc(NC(=O)OCCC)c2ncccc12

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.61
BCHE P06276 2/20 0.61
MAOA P21397 6/20 0.58
MAOB P27338 6/20 0.58
BACE1 P56817 1/20 0.58
KDM4E B2RXH2 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
NPC1 O15118 1/20 0.38
BRD4 O60885 1/20 0.38
MITF O75030 1/20 0.38
CTSB P07858 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
KCNQ4 P56696 1/20 0.36
PYCR1 P32322 1/20 0.35
HPGD P15428 1/20 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
SCHEMBL3803303 0.79 MAPT (0.52) MAOBKDM4EL3MBTL1NPC1BRD4
SCHEMBL611410 0.78 ACHE (0.53) ACHEBCHEMAOAMAOBBACE1
SCHEMBL611971 0.78 ACHE (0.53) ACHEBCHEMAOAMAOBBACE1
SCHEMBL3799358 0.77 ACHE (0.51) ACHEBCHEMAOAMAOBBACE1
SCHEMBL608563 0.77 ACHE (0.71) ACHEBCHEMAOAMAOBBACE1
SCHEMBL608751 0.76 ACHE (0.81) ACHEBCHEMAOAMAOBBACE1
SCHEMBL608520 0.76 ACHE (1.00) ACHEBCHEMAOAMAOBBACE1
SCHEMBL609069 0.75 ACHE (0.83) ACHEBCHEMAOAMAOBBACE1
SCHEMBL610508 0.75 ACHE (0.83) ACHEBCHEMAOAMAOBBACE1
SCHEMBL608665 0.75 ACHE (0.75) ACHEBCHEMAOAMAOBBACE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8802675-B2 Neuroprotective multifunctional compounds and pharmaceutical compositions comprising them TECHNION RESEARCH AND DEVELOPMENT FOUNDATION LTD (IL) 2014-08-12 US disclosed
US-20120040993-A1 NEUROPROTECTIVE MULTIFUNCTIONAL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM TECHNION RESEARCH AND DEVELOPMENT FOUNDATION LTD. (IL) 2012-02-16 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-20120040993-A1 NEUROPROTECTIVE MULTIFUNCTIONAL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM GSR, GRIN1, GRIN2A ACHE 81/4885BCHE 142/4885MAOA 7/4885

“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.