SCHEMBL611531

SCHEMBL611531

C#CCN(C)C(C)Cc1ccc(C(=O)NO)cc1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAOB P27338 13/20 0.59
MAOA P21397 12/20 0.59
CYP1A2 P05177 2/20 0.58
ADRA2A P08913 1/20 0.58
ADRA2B P18089 1/20 0.58
ADRA2C P18825 1/20 0.58
ADRA1A P35348 1/20 0.58
SNCA P37840 1/20 0.58
OPRK1 P41145 1/20 0.58
CYP2D6 P10635 1/20 0.58
PKM P14618 1/20 0.58
TSHR P16473 1/20 0.58
MAPK1 P28482 1/20 0.57
KDM4E B2RXH2 1/20 0.57
HDAC1 Q13547 2/20 0.50
HDAC6 Q9UBN7 2/20 0.50
HDAC8 Q9BY41 1/20 0.50
ACHE P22303 1/20 0.49

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
SCHEMBL610619 0.81 MAOA (0.56) MAOBMAOACYP1A2ADRA2AADRA2B
SCHEMBL10076415 0.78 MAOB (0.71) MAOBMAOACYP1A2ADRA2AADRA2B
SCHEMBL610837 0.77 PYCR1 (0.72) MAOBMAOATSHRHDAC1HDAC6
SCHEMBL10076400 0.76 MAOB (0.73) MAOBMAOACYP1A2ADRA2AADRA2B
SCHEMBL10076445 0.76 MAOB (0.73) MAOBMAOACYP1A2ADRA2AADRA2B
SCHEMBL10076418 0.75 MAOB (0.71) MAOBMAOACYP1A2ADRA2AADRA2B
SCHEMBL2615296 0.75 MAOB (1.00) MAOBMAOACYP1A2ADRA2AADRA2B
SCHEMBL4549815 0.75 MAOB (1.00) MAOBMAOACYP1A2ADRA2AADRA2B
SCHEMBL2616092 0.75 MAOB (1.00) MAOBMAOACYP1A2ADRA2AADRA2B
SCHEMBL18756752 0.75 MAOB (0.71) MAOBMAOACYP1A2ADRA2AADRA2B

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 7 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
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 MAOB 12/4885MAOA 7/4885CYP1A2 2160/4885

“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.