SCHEMBL16675948

SCHEMBL16675948

CC(C)(C)CC(=O)/N=C(/Nc1cc(F)cc(Cl)c1)Nc1n[nH]c2c(O)ccc(F)c12

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.37
P2RX1 P51575 2/20 0.35
P2RX4 Q99571 2/20 0.35
P2RX7 Q99572 2/20 0.35
ANO1 Q5XXA6 1/20 0.34
GSK3B P49841 2/20 0.32
CDK1 P06493 1/20 0.32
CDK2 P24941 1/20 0.32
GRM4 Q14833 1/20 0.32
AURKA O14965 1/20 0.32
AURKB Q96GD4 1/20 0.32
CDK19 Q9BWU1 1/20 0.32
CYP1A2 P05177 1/20 0.31
TMPRSS4 Q9NRS4 1/20 0.31
RAPGEF3 O95398 1/20 0.31
RAPGEF4 Q8WZA2 1/20 0.31
PTGES O14684 1/20 0.30

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
SCHEMBL16675968 0.83 AURKA (0.32) ANO1GSK3BCDK1CDK2AURKA
SCHEMBL16675894 0.78 RAB9A (0.39) CYP2D6CDK2GRM4AURKAAURKB
SCHEMBL18556885 0.76 CYP2D6 (0.49) CYP2D6GRM4RAPGEF3RAPGEF4
SCHEMBL16675939 0.71 CDK2 (0.39) CYP2D6GSK3BCDK1CDK2GRM4
SCHEMBL16752855 0.69 CHRNA1 (0.34) ANO1CDK2
SCHEMBL16752857 0.69 CHRNA1 (0.34) ANO1CDK2
SCHEMBL18159978 0.67 CYP2D6 (0.39) CYP2D6GRM4RAPGEF3RAPGEF4
SCHEMBL21093187 0.66 CYP2D6 (0.50) CYP2D6GRM4
SCHEMBL16675943 0.66 GRM4 (0.40) CYP2D6GSK3BGRM4AURKACYP1A2
SCHEMBL16797226 0.66 CYP2D6 (0.42) CYP2D6GRM4RAPGEF3RAPGEF4

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 4 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-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
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 3177/4885P2RX1 1487/4885P2RX4 2172/4885

“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.