SCHEMBL16682121

SCHEMBL16682121

CC(C)CC(=O)/N=C(/Nc1cc(F)cc(Cl)c1)Nc1cc(C(F)(F)F)[nH]n1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.48
ALOX15 P16050 1/20 0.35
RET P07949 3/20 0.35
CRHR1 P34998 1/20 0.35
PSD A5PKW4 2/20 0.34
IDO1 P14902 2/20 0.33
KDM4E B2RXH2 1/20 0.32
TSHR P16473 1/20 0.32
XPO1 O14980 1/20 0.32
LCK P06239 1/20 0.32
SRC P12931 1/20 0.32
SLC6A9 P48067 1/20 0.32
CBLB Q13191 1/20 0.31
CIT O14578 1/20 0.31
RAF1 P04049 1/20 0.31
GRM4 Q14833 1/20 0.31
UBE2M P61081 1/20 0.31
DCUN1D1 Q96GG9 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
SCHEMBL21093187 0.89 CYP2D6 (0.50) CYP2D6ALOX15RETCRHR1PSD
SCHEMBL18556885 0.88 CYP2D6 (0.49) CYP2D6ALOX15RETCRHR1IDO1
SCHEMBL16675898 0.87 NPC1 (0.39) CYP2D6RETKDM4ETSHRSLC6A9
SCHEMBL16812137 0.85 CYP2D6 (0.48) CYP2D6ALOX15RETCRHR1XPO1
SCHEMBL16682180 0.83 CYP2D6 (0.51) CYP2D6ALOX15RAF1UBE2MDCUN1D1
SCHEMBL18556887 0.83 CYP2D6 (0.48) CYP2D6ALOX15CRHR1
SCHEMBL16682165 0.82 CYP2D6 (0.46) CYP2D6ALOX15CRHR1IDO1XPO1
SCHEMBL18556916 0.82 CYP2D6 (0.46) CYP2D6ALOX15CRHR1SLC6A9GRM4
SCHEMBL19135717 0.82 CYP2D6 (0.44) CYP2D6ALOX15CRHR1
SCHEMBL16811839 0.81 CYP2D6 (0.54) CYP2D6ALOX15RETXPO1LCK

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 CYP2D6 3177/4885ALOX15 2000/4885RET 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.