SCHEMBL611971

SCHEMBL611971

C#CCN(C)Cc1ccc(NC(=O)O[C@H]2CCc3ccccc32)c2ncccc12

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACHE P22303 4/20 0.53
BCHE P06276 3/20 0.53
MAOA P21397 9/20 0.50
MAOB P27338 9/20 0.50
BACE1 P56817 1/20 0.50
CHRM4 P08173 1/20 0.34
DRD2 P14416 1/20 0.34
HTR7 P34969 1/20 0.34
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
CTSV O60911 1/20 0.34
CTSL P07711 1/20 0.34
CTSS P25774 1/20 0.34
CTSK P43235 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
SCHEMBL611410 1.00 ACHE (0.53) ACHEBCHEMAOAMAOBBACE1
SCHEMBL611409 0.83 CTSV (0.36) ACHEBCHEMAOAMAOBBACE1
SCHEMBL10053435 0.79 ACHE (0.65) ACHEBCHEMAOAMAOBBACE1
SCHEMBL608274 0.79 ACHE (0.65) ACHEBCHEMAOAMAOBBACE1
SCHEMBL608273 0.79 ACHE (0.65) ACHEBCHEMAOAMAOBBACE1
SCHEMBL609576 0.78 ACHE (0.61) ACHEBCHEMAOAMAOBBACE1
SCHEMBL3799358 0.74 ACHE (0.51) ACHEBCHEMAOAMAOBBACE1
SCHEMBL608563 0.72 ACHE (0.71) ACHEBCHEMAOAMAOBBACE1
SCHEMBL611601 0.72 ACHE (0.52) ACHEBCHEMAOAMAOBBACE1
SCHEMBL608665 0.71 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 3 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
WO-2010086860-A2 NEUROPROTECTIVE MULTIFUNCTIONAL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2010-08-05 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-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.