SCHEMBL16682115

SCHEMBL16682115

CC(C)(C)N/C(=N/C(=O)CC1COC1)Nc1cc(C(F)(F)F)[nH]n1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 1/20 0.36
RET P07949 4/20 0.35
LCK P06239 1/20 0.35
SRC P12931 1/20 0.35
CNR2 P34972 1/20 0.34
CACNA1I Q9P0X4 1/20 0.34
CCNE1 P24864 4/20 0.32
CDK2 P24941 4/20 0.32
IDO1 P14902 2/20 0.32
GSK3B P49841 2/20 0.32
STK25 O00506 3/20 0.31
PRKAB2 O43741 1/20 0.31
PRKAG1 P54619 1/20 0.31
PRKAA2 P54646 1/20 0.31
PRKAA1 Q13131 1/20 0.31
PRKAG3 Q9UGI9 1/20 0.31
PRKAG2 Q9UGJ0 1/20 0.31
PRKAB1 Q9Y478 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
SCHEMBL16682178 0.90 CNR2 (0.40) CRHR1RETLCKSRCCNR2
SCHEMBL16682113 0.88 CRHR1 (0.38) CRHR1RETLCKSRCCNR2
SCHEMBL16675931 0.87 CDK2 (0.37) RETLCKSRCCCNE1CDK2
SCHEMBL16682165 0.81 CYP2D6 (0.46) CRHR1IDO1
SCHEMBL16682133 0.80 EGFR (0.40) RETLCKSRCCNR2CACNA1I
SCHEMBL16682128 0.80 RET (0.39) CRHR1RETLCKSRCIDO1
SCHEMBL16682130 0.78 STK25 (0.39) CRHR1RETLCKSRCCACNA1I
SCHEMBL16682184 0.77 STK25 (0.39) CRHR1RETLCKSRCCNR2
SCHEMBL18556896 0.77 GSK3B (0.52) CRHR1GSK3B
SCHEMBL16675930 0.77 JAK3 (0.37) RETLCKSRCCNR2CCNE1

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 CRHR1 4430/4885RET 4696/4885LCK 1706/4885

“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.