SCHEMBL3413508

SCHEMBL3413508

Cc1cc(CCCN(C)C)c(C=O)[nH]1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 11/20 0.38
MPO P05164 1/20 0.38
NOS1 P29475 3/20 0.33
NOS3 P29474 2/20 0.33
NOS2 P35228 2/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33
SRC P12931 1/20 0.32
HTR6 P50406 1/20 0.32

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
SCHEMBL16328687 0.81 KDM4E (0.44)
SCHEMBL13103031 0.79 HIF1A (0.37) SLC6A4
SCHEMBL16510896 0.78 KDM4E (0.35) MPO
SCHEMBL13970793 0.78 SLC6A4 (0.43) SLC6A4MPONOS1NOS3NOS2
SCHEMBL13103013 0.77 CHRM2 (0.33)
SCHEMBL3417874 0.77 NPC1 (0.40) SLC6A4HTR2AHTR2CSRCHTR6
Iodide SCHEMBL3433760 0.76 CHRM2 (0.35)
SCHEMBL3414125 0.73 SLC6A4 (0.45) SLC6A4HTR2AHTR2CHTR2BSRC
SCHEMBL3419310 0.73 HTR1D (0.40) SLC6A4NOS1NOS3NOS2HTR2A
SCHEMBL4405794 0.70 SRC (0.35) HTR2AHTR2CHTR2BSRCHTR6

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140186875-A1 NOVEL OPTICAL LABELING MOLECULES FOR PROTEOMICS AND OTHER BIOLOGICAL ANALYSIS MONTANA STATE UNIVERSITY (US) 2014-07-03 US disclosed
US-20100252433-A1 NOVEL OPTICAL LABELING MOLECULES FOR PROTEOMICS AND OTHER BIOLOGICAL ANALYSES NATIONAL SCIENCE FOUNDATION 2010-10-07 US disclosed
US-20100252433-A1 NOVEL OPTICAL LABELING MOLECULES FOR PROTEOMICS AND OTHER BIOLOGICAL ANALYSES NATIONAL SCIENCE FOUNDATION 2010-10-07 US disclosed
US-20100252433-A1 NOVEL OPTICAL LABELING MOLECULES FOR PROTEOMICS AND OTHER BIOLOGICAL ANALYSES NATIONAL SCIENCE FOUNDATION 2010-10-07 US disclosed
EP-2164997-A2 NOVEL OPTICAL LABELING MOLECULES IN PROTEOMICS AND OTHER BIOLOGICAL ANALYSES Montana State University (US) 2010-03-24 EP disclosed
WO-2009005871-A2 NOVEL OPTICAL LABELING MOLECULES IN PROTEOMICS AND OTHER BIOLOGICAL ANALYSES MONTANA STATE UNIVERSITY (US) 2009-01-08 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-20100252433-A1 NOVEL OPTICAL LABELING MOLECULES FOR PROTEOMICS AND OTHER BIOLOGICAL ANALYSES PTMS, CHAMP1, RAB5IF SLC6A4 4693/4885MPO 1374/4885NOS1 1058/4885

“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.