SCHEMBL12640254

SCHEMBL12640254

CC(=O)CCc1cn(CCC(C)=O)nn1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 6/20 0.46
CSNK2A1 P68400 1/20 0.46
EPHX2 P34913 1/20 0.42
ICMT O60725 2/20 0.41
DDX3X O00571 1/20 0.39
GBA1 P04062 3/20 0.38
HRH4 Q9H3N8 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
GGPS1 O95749 1/20 0.38

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
SCHEMBL17490608 0.90 EPHX2 (0.46) HDAC1CSNK2A1EPHX2GBA1HRH4
SCHEMBL17776274 0.90 EPHX2 (0.46) HDAC1CSNK2A1EPHX2GBA1HRH4
SCHEMBL21626004 0.90 POLB (0.47) HDAC1CSNK2A1EPHX2ICMTGBA1
SCHEMBL2601644 0.89 HDAC1 (0.43) HDAC1CSNK2A1EPHX2ICMTGBA1
SCHEMBL13437065 0.89 FOLH1 (0.46) HDAC1CSNK2A1EPHX2DDX3X
SCHEMBL18768813 0.89 EPHX2 (0.51) HDAC1EPHX2GBA1
SCHEMBL26517333 0.87 EPHX2 (0.53) EPHX2GBA1HRH4HRH3GGPS1
SCHEMBL16234065 0.86 CSNK2A1 (0.40) HDAC1CSNK2A1EPHX2ICMTGBA1
SCHEMBL18289680 0.86 CYP19A1 (0.41) HDAC1CSNK2A1EPHX2DDX3XGGPS1
SCHEMBL21309983 0.86 EPHX2 (0.44) HDAC1CSNK2A1EPHX2GBA1HRH4

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-8969622-B2 Dendritic molecular intracellular transporters and methods of making and using same VANDERBILT UNIVERSITY (US) 2015-03-03 US disclosed
US-7935782-B2 Multifunctional degradable nanoparticles with control over size and functionalities VANDERBILT UNIVERSITY (US) 2011-05-03 US disclosed
US-20090306335-A1 MULTIFUNCTIONAL DEGRADABLE NANOPARTICLES WITH CONTROL OVER SIZE AND FUNCTIONALITIES NATIONAL SCIENCE FOUNDATION 2009-12-10 US disclosed
US-20080221043-A1 Guanidinium compounds for drug delivery VANDERBILT UNIVERSITY 2008-09-11 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-20080221043-A1 Guanidinium compounds for drug delivery GMPS, GUCY1A1, GUCY1A2 HDAC1 3605/4885CSNK2A1 2725/4885EPHX2 3158/4885

“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.