SCHEMBL16682178

SCHEMBL16682178

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

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 4/20 0.40
CRHR1 P34998 1/20 0.37
ACKR3 P25106 1/20 0.36
CNR1 P21554 3/20 0.35
CACNA1I Q9P0X4 1/20 0.35
RET P07949 3/20 0.34
LCK P06239 1/20 0.34
SRC P12931 1/20 0.34
CCNE1 P24864 6/20 0.33
CDK2 P24941 6/20 0.33
GSK3B P49841 2/20 0.33
STK25 O00506 1/20 0.32
WDR5 P61964 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
SCHEMBL16682113 0.90 CRHR1 (0.38) CNR2CRHR1CACNA1IRETLCK
SCHEMBL16682115 0.90 CRHR1 (0.36) CNR2CRHR1CACNA1IRETLCK
SCHEMBL16675930 0.87 JAK3 (0.37) CNR2ACKR3CNR1RETLCK
SCHEMBL16682124 0.86 CNR2 (0.37) CNR2CRHR1CACNA1IRETCCNE1
SCHEMBL18556886 0.83 CCNE1 (0.38) CNR2CRHR1ACKR3CCNE1CDK2
SCHEMBL16682133 0.83 EGFR (0.40) CNR2CNR1CACNA1IRETLCK
SCHEMBL18556908 0.81 CYP2D6 (0.44) CNR2CRHR1CCNE1CDK2
SCHEMBL16682128 0.79 RET (0.39) CRHR1RETLCKSRCSTK25
SCHEMBL16682109 0.78 CACNA1I (0.38) CNR2CRHR1CACNA1IRETLCK
SCHEMBL16682184 0.78 STK25 (0.39) CNR2CRHR1CACNA1IRETLCK

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 4430/4885ACKR3 3349/4885

“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.