SCHEMBL16682113

SCHEMBL16682113

CC(C)(C)N/C(=N/C(=O)CC1CCCCC1)Nc1cc(C(F)(F)F)[nH]n1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 1/20 0.38
STK25 O00506 3/20 0.37
CACNA1I Q9P0X4 1/20 0.36
RET P07949 3/20 0.35
LCK P06239 1/20 0.35
SRC P12931 1/20 0.35
CSNK1D P48730 1/20 0.34
CNR2 P34972 1/20 0.34
CCNE1 P24864 3/20 0.33
CDK2 P24941 3/20 0.33
MEN1 O00255 1/20 0.33
ALPL P05186 1/20 0.33
POLB P06746 1/20 0.33
KMT2A Q03164 1/20 0.33
GSK3B P49841 1/20 0.33
PKM P14618 1/20 0.33
IDO1 P14902 2/20 0.32
ALDH1A1 P00352 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
SCHEMBL16682178 0.90 CNR2 (0.40) CRHR1STK25CACNA1IRETLCK
SCHEMBL16682115 0.88 CRHR1 (0.36) CRHR1STK25CACNA1IRETLCK
SCHEMBL16682109 0.87 CACNA1I (0.38) CRHR1STK25CACNA1IRETLCK
SCHEMBL16675923 0.87 RET (0.38) RETLCKSRCCDK2MEN1
SCHEMBL16682183 0.85 STK25 (0.38) CRHR1STK25CACNA1IRETLCK
SCHEMBL16682184 0.83 STK25 (0.39) CRHR1STK25CACNA1IRETLCK
SCHEMBL18556902 0.82 CCNE1 (0.39) CRHR1RETCCNE1CDK2IDO1
SCHEMBL18556916 0.81 CYP2D6 (0.46) CRHR1CNR2ALDH1A1
SCHEMBL16682128 0.80 RET (0.39) CRHR1STK25RETLCKSRC
SCHEMBL16682130 0.78 STK25 (0.39) CRHR1STK25CACNA1IRETLCK

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 4430/4885STK25 3551/4885CACNA1I 3911/4885

“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.