SCHEMBL10053438

SCHEMBL10053438

C#CCN(C)C(C)Cc1ccc(OC(=O)ON)cc1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 10/20 0.56
▸ MAOB P27338 10/20 0.56
▸ ACHE P22303 8/20 0.55
▸ CYP1A2 P05177 2/20 0.55
▸ ADRA2A P08913 1/20 0.55
▸ ADRA2B P18089 1/20 0.55
▸ ADRA2C P18825 1/20 0.55
▸ ADRA1A P35348 1/20 0.55
▸ SNCA P37840 1/20 0.55
▸ OPRK1 P41145 1/20 0.55
▸ CYP2D6 P10635 1/20 0.55
▸ PKM P14618 1/20 0.55
▸ TSHR P16473 1/20 0.55
▸ MAPK1 P28482 1/20 0.53
▸ KDM4E B2RXH2 1/20 0.53

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 0.82 MAOA (0.56) MAOAMAOBACHECYP1A2ADRA2A
SCHEMBL10053439 0.79 PYCR1 (0.60) MAOAMAOBACHETSHR
SCHEMBL10076405 0.78 MAOB (0.68) MAOAMAOBACHECYP1A2ADRA2A
SCHEMBL2475627 0.75 MAOA (0.67) MAOAMAOBACHECYP1A2ADRA2A
SCHEMBL2475629 0.75 MAOA (0.67) MAOAMAOBACHECYP1A2ADRA2A
SCHEMBL10076418 0.75 MAOB (0.71) MAOAMAOBACHECYP1A2ADRA2A
SCHEMBL10076415 0.75 MAOB (0.71) MAOAMAOBACHECYP1A2ADRA2A
Selegiline SCHEMBL4611911 0.74 MAOB (0.90) MAOAMAOBACHECYP1A2ADRA2A
SCHEMBL10084811 0.74 MAOA (0.68) MAOAMAOBACHECYP1A2ADRA2A
SCHEMBL10076400 0.73 MAOB (0.73) MAOAMAOBACHECYP1A2ADRA2A

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 4 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
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 MAOA 7/4885MAOB 12/4885ACHE 81/4885

“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.

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