SCHEMBL16682124

SCHEMBL16682124

CC(C)CN/C(=N/C(=O)CC1CCOCC1)Nc1cc(C(F)(F)F)[nH]n1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.37
CRHR1 P34998 1/20 0.35
RET P07949 2/20 0.34
CCNE1 P24864 2/20 0.33
CDK2 P24941 2/20 0.33
CTSD P07339 1/20 0.33
CACNA1I Q9P0X4 1/20 0.33
IDO1 P14902 2/20 0.33
WDR5 P61964 1/20 0.32
MAPK1 P28482 2/20 0.32
IDH1 O75874 1/20 0.32
GSK3B P49841 2/20 0.32
PRKD1 Q15139 1/20 0.32
KCNH2 Q12809 1/20 0.31
CCR2 P41597 1/20 0.31
PTGES O14684 1/20 0.31

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
SCHEMBL16675900 0.87 JAK3 (0.36) RETCDK2CTSDMAPK1GSK3B
SCHEMBL16682178 0.86 CNR2 (0.40) CNR2CRHR1RETCCNE1CDK2
SCHEMBL18556886 0.84 CCNE1 (0.38) CNR2CRHR1CCNE1CDK2IDO1
SCHEMBL16682131 0.84 WDR5 (0.37) CNR2RETWDR5MAPK1
SCHEMBL18556908 0.79 CYP2D6 (0.44) CNR2CRHR1CCNE1CDK2
SCHEMBL16682109 0.78 CACNA1I (0.38) CNR2CRHR1RETCCNE1CDK2
SCHEMBL16682115 0.76 CRHR1 (0.36) CNR2CRHR1RETCCNE1CDK2
SCHEMBL16682113 0.76 CRHR1 (0.38) CNR2CRHR1RETCCNE1CDK2
SCHEMBL16675957 0.76 GSK3B (0.44) MAPK1GSK3BKCNH2
SCHEMBL18556902 0.75 CCNE1 (0.39) CRHR1RETCCNE1CDK2IDO1

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 CNR2 4204/4885CRHR1 4430/4885RET 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.