SCHEMBL612103

SCHEMBL612103

C#CCC1CCN(Cc2ccc(OC(=O)N(C)C)c3ncccc23)CC1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.60
BCHE P06276 2/20 0.60
MAOA P21397 3/20 0.60
MAOB P27338 3/20 0.60
KDM4E B2RXH2 6/20 0.50
MAPT P10636 4/20 0.50
L3MBTL1 Q9Y468 4/20 0.50
KMT2A Q03164 3/20 0.50
ALDH1A1 P00352 3/20 0.50
TP53 P04637 2/20 0.50
ALOX12 P18054 2/20 0.50
NFKB1 P19838 2/20 0.50
NFKB2 Q00653 2/20 0.50
RELA Q04206 2/20 0.50
NPSR1 Q6W5P4 1/20 0.50
GAA P10253 2/20 0.49
MEN1 O00255 1/20 0.46
NPC1 O15118 1/20 0.46
BLM P54132 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL610507 0.87 BCHE (0.64) ACHEBCHEMAOAMAOBKDM4E
SCHEMBL611523 0.79 BCHE (0.54) ACHEBCHEMAOAMAOBKDM4E
SCHEMBL611607 0.78 KDM4E (0.56) ACHEBCHEMAOAMAOBKDM4E
SCHEMBL10053441 0.76 ACHE (0.84) ACHEBCHEMAOAMAOBKDM4E
SCHEMBL608520 0.76 ACHE (1.00) ACHEBCHEMAOAMAOBKDM4E
SCHEMBL610610 0.76 MAOB (0.55) ACHEBCHEMAOAMAOBKDM4E
SCHEMBL13261482 0.74 MAOB (0.58) ACHEBCHEMAOBKDM4EMAPT
SCHEMBL611368 0.74 ACHE (0.76) ACHEBCHEMAOAMAOBKDM4E
SCHEMBL609416 0.72 ALDH1A1 (0.58) ACHEBCHEMAOBKDM4EMAPT
SCHEMBL610488 0.72 ALDH1A1 (0.60) ACHEBCHEMAOBKDM4EMAPT

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 8 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-8802675-B2 Neuroprotective multifunctional compounds and pharmaceutical compositions comprising them TECHNION RESEARCH AND DEVELOPMENT FOUNDATION LTD (IL) 2014-08-12 US disclosed
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
US-20120040993-A1 NEUROPROTECTIVE MULTIFUNCTIONAL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM TECHNION RESEARCH AND DEVELOPMENT FOUNDATION LTD. (IL) 2012-02-16 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
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.