SCHEMBL608272

SCHEMBL608272

C#C[C@H](C)NCc1ccc(OC(=O)NC2CCc3ccccc32)c2ncccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.42
ACHE P22303 1/20 0.42
P2RX7 Q99572 2/20 0.38
ADORA2A P29274 1/20 0.38
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 1/20 0.37
PDE10A Q9Y233 2/20 0.37
ROCK2 O75116 2/20 0.37
ROCK1 Q13464 2/20 0.37
ALDH1A1 P00352 1/20 0.37
PLA2G1B P04054 1/20 0.37
ATG4B Q9Y4P1 1/20 0.37
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
KMT2A Q03164 1/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
XIAP P98170 2/20 0.36

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
SCHEMBL608274 0.83 ACHE (0.65) BCHEACHEP2RX7ADORA2APDE4A
SCHEMBL608273 0.83 ACHE (0.65) BCHEACHEP2RX7ADORA2APDE4A
SCHEMBL10053435 0.83 ACHE (0.65) BCHEACHEP2RX7ADORA2APDE4A
SCHEMBL611409 0.79 CTSV (0.36) BCHEACHEALDH1A1LMNAKMT2A
SCHEMBL13261475 0.65 BRD4 (0.51) BCHEACHEALDH1A1MEN1LMNA
SCHEMBL608173 0.65 ACHE (0.68) BCHEACHEMAOAMAOBBRD4
SCHEMBL3413387 0.64 PDE4A (0.52) PDE4APDE4BPDE4CPDE4DPDE10A
SCHEMBL3376206 0.64 PDE4A (0.52) PDE4APDE4BPDE4CPDE4DPDE10A
SCHEMBL30407788 0.64 ALDH1A1 (0.55) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL15890198 0.64 ALDH1A1 (0.55) PDE4APDE4BPDE4CPDE4DALDH1A1

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 BCHE 142/4885ACHE 81/4885P2RX7 3239/4885

“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.