SCHEMBL16682109

SCHEMBL16682109

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

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CACNA1I Q9P0X4 1/20 0.38
CRHR1 P34998 1/20 0.36
STK25 O00506 1/20 0.35
CCNE1 P24864 1/20 0.35
CDK2 P24941 1/20 0.35
RORC P51449 10/20 0.34
LCK P06239 1/20 0.33
RET P07949 1/20 0.33
SRC P12931 1/20 0.33
CNR2 P34972 2/20 0.33
PKM P14618 1/20 0.33
CSNK1D P48730 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
SCHEMBL16675896 0.87 RET (0.37) CCNE1CDK2RORCLCKRET
SCHEMBL16682113 0.87 CRHR1 (0.38) CACNA1ICRHR1STK25CCNE1CDK2
SCHEMBL18556891 0.83 RET (0.37) CACNA1ICRHR1STK25CCNE1CDK2
SCHEMBL16682107 0.81 RET (0.37) CACNA1ICRHR1STK25CCNE1CDK2
SCHEMBL18556902 0.80 CCNE1 (0.39) CRHR1CCNE1CDK2RET
SCHEMBL16682117 0.80 RET (0.36) CACNA1ICRHR1STK25CCNE1CDK2
SCHEMBL16682120 0.79 NPY5R (0.38) CCNE1CDK2LCKRETSRC
SCHEMBL16682078 0.79 CACNA1I (0.35) CACNA1ICRHR1CCNE1CDK2RORC
SCHEMBL18556916 0.78 CYP2D6 (0.46) CRHR1CNR2
SCHEMBL16682168 0.78 P2RX7 (0.37) STK25CCNE1CDK2LCKRET

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 CACNA1I 3911/4885CRHR1 4430/4885STK25 3551/4885

“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.