SCHEMBL608274

SCHEMBL608274

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

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACHE P22303 4/20 0.65
BCHE P06276 3/20 0.65
MAOA P21397 11/20 0.55
MAOB P27338 11/20 0.55
BACE1 P56817 1/20 0.50
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
P2RX7 Q99572 1/20 0.39
ADORA2A P29274 1/20 0.38
ADRA2B P18089 1/20 0.38
ADRA2C P18825 1/20 0.38
ADRA1A P35348 1/20 0.38
HTR6 P50406 1/20 0.38
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
LMNA P02545 1/20 0.37

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
SCHEMBL608273 1.00 ACHE (0.65) ACHEBCHEMAOAMAOBBACE1
SCHEMBL10053435 1.00 ACHE (0.65) ACHEBCHEMAOAMAOBBACE1
SCHEMBL608272 0.83 BCHE (0.42) ACHEBCHEMAOAMAOBMEN1
SCHEMBL608173 0.82 ACHE (0.68) ACHEBCHEMAOAMAOBBACE1
SCHEMBL608751 0.81 ACHE (0.81) ACHEBCHEMAOAMAOBBACE1
SCHEMBL608665 0.80 ACHE (0.75) ACHEBCHEMAOAMAOBBACE1
SCHEMBL608520 0.79 ACHE (1.00) ACHEBCHEMAOAMAOBBACE1
SCHEMBL608172 0.79 ACHE (0.68) ACHEBCHEMAOAMAOBBACE1
SCHEMBL611410 0.79 ACHE (0.53) ACHEBCHEMAOAMAOBBACE1
SCHEMBL611971 0.79 ACHE (0.53) 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.