SCHEMBL4022873

SCHEMBL4022873

Cc1c(F)cccc1C1[C@@H](C(=O)c2cccc(O)c2)CN(C(CN(C)C)C(=O)N(C)C)C[C@@H]1C(=O)c1cccc(O)c1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 9/20 0.37
TACR1 P25103 1/20 0.33
MGLL Q99685 5/20 0.33
SLC2A1 P11166 1/20 0.31
SLC2A4 P14672 1/20 0.31
OPRD1 P41143 1/20 0.31
OPRK1 P41145 1/20 0.31
BCHE P06276 1/20 0.31
UBE2M P61081 1/20 0.31
DCUN1D1 Q96GG9 1/20 0.31
KCNH2 Q12809 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
SCHEMBL4022881 1.00 KIF11 (0.37) KIF11TACR1MGLLSLC2A1SLC2A4
SCHEMBL4019683 0.94 KIF11 (0.34) KIF11TACR1MGLLOPRD1OPRK1
SCHEMBL4019685 0.94 KIF11 (0.34) KIF11TACR1MGLLOPRD1OPRK1
SCHEMBL4022792 0.92 KIF11 (0.33) KIF11TACR1MGLLOPRD1OPRK1
SCHEMBL4022804 0.92 KIF11 (0.33) KIF11TACR1MGLLOPRD1OPRK1
SCHEMBL4027535 0.90 MGLL (0.33) KIF11TACR1MGLL
SCHEMBL4027547 0.90 MGLL (0.33) KIF11TACR1MGLL
SCHEMBL4019590 0.87 MGLL (0.33) KIF11TACR1MGLLOPRD1OPRK1
SCHEMBL4019600 0.87 MGLL (0.33) KIF11TACR1MGLLOPRD1OPRK1
SCHEMBL4021950 0.87 MGLL (0.33) KIF11TACR1MGLLOPRD1OPRK1

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-7572814-B2 3,5-dibenzoyl-4-phenyl-piperidine anti-cancer compounds CYTOKINETICS, INCORPORATED (US) 2009-08-11 US claimed
US-20070161674-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2007-07-12 US claimed
US-7572814-B2 3,5-dibenzoyl-4-phenyl-piperidine anti-cancer compounds CYTOKINETICS, INCORPORATED (US) 2009-08-11 US disclosed
US-20070161674-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2007-07-12 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-20070161674-A1 Certain chemical entities, compositions, and methods TP53, VHL, RB1 KIF11 3745/4885TACR1 1443/4885MGLL 2929/4885

“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.