SCHEMBL16682183

SCHEMBL16682183

CC(C)(C)N/C(=N/C(=O)C1CCCCC1)Nc1cc(C(F)(F)F)[nH]n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STK25 O00506 3/20 0.38
CNR2 P34972 1/20 0.37
RET P07949 3/20 0.36
LCK P06239 1/20 0.36
SRC P12931 1/20 0.36
CRHR1 P34998 1/20 0.34
FOXO1 Q12778 1/20 0.33
MAPK14 Q16539 1/20 0.33
CACNA1I Q9P0X4 1/20 0.33
CDK2 P24941 4/20 0.33
CCNE1 P24864 2/20 0.33
GSK3B P49841 1/20 0.33
PRKAB2 O43741 1/20 0.33
PRKAG1 P54619 1/20 0.33
PRKAA2 P54646 1/20 0.33
PRKAA1 Q13131 1/20 0.33
PRKAG3 Q9UGI9 1/20 0.33
PRKAG2 Q9UGJ0 1/20 0.33
PRKAB1 Q9Y478 1/20 0.33
IDO1 P14902 2/20 0.33

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
SCHEMBL16682184 0.99 STK25 (0.39) STK25CNR2RETLCKSRC
SCHEMBL16675929 0.86 CCNA2 (0.39) RETLCKSRCCDK2CCNA2
SCHEMBL16682113 0.85 CRHR1 (0.38) STK25CNR2RETLCKSRC
SCHEMBL16675919 0.84 CCNA2 (0.40) RETLCKSRCCDK2CCNA2
SCHEMBL16682119 0.81 CCNE1 (0.40) RETCDK2CCNE1IDO1
SCHEMBL16682166 0.79 CYP2D6 (0.47) CRHR1IDO1
SCHEMBL16682079 0.79 CCNE1 (0.40) RETCDK2CCNE1IDO1
SCHEMBL16682127 0.78 CYP2D6 (0.48) STK25CRHR1IDO1
SCHEMBL16682178 0.77 CNR2 (0.40) STK25CNR2RETLCKSRC
SCHEMBL16682115 0.76 CRHR1 (0.36) STK25CNR2RETLCKSRC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9580391-B2 Saturated acyl guanidine for inhibition of F1F0-ATPase LYCERA CORPORATION (US) 2017-02-28 US disclosed
US-20150119439-A1 SATURATED ACYL GUANIDINE FOR INHIBITION OF F1F0-ATPASE WILMINGTON TRUST, NATIONAL ASSOCIATION 2015-04-30 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-20150119439-A1 SATURATED ACYL GUANIDINE FOR INHIBITION OF F1F0-ATPASE ATP5F1A, ATP5F1D, ATP5F1C STK25 3551/4885CNR2 4204/4885RET 4696/4885

“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.