SCHEMBL4022808

SCHEMBL4022808

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 2/20 0.36
BRD4 O60885 1/20 0.34
MGLL Q99685 4/20 0.34
KDM4E B2RXH2 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
BCHE P06276 2/20 0.34
CHRNB2 P17787 1/20 0.33
CHRNA4 P43681 1/20 0.33
LMNA P02545 1/20 0.33
TLR9 Q9NR96 1/20 0.32
TLR8 Q9NR97 1/20 0.32
TLR7 Q9NYK1 1/20 0.32
TRAP1 Q12931 1/20 0.32
OPRD1 P41143 1/20 0.32
OPRK1 P41145 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 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
SCHEMBL4022805 1.00 KDR (0.36) KDRBRD4MGLLKDM4EL3MBTL1
SCHEMBL4023344 0.94 KDR (0.36) KDRBRD4MGLLKDM4EL3MBTL1
SCHEMBL4023336 0.94 KDR (0.36) KDRBRD4MGLLKDM4EL3MBTL1
SCHEMBL13721155 0.85 BCHE (0.36) MGLLBCHEOPRD1OPRK1
SCHEMBL4022333 0.85 BCHE (0.36) MGLLBCHEOPRD1OPRK1
SCHEMBL4018821 0.85 BCHE (0.36) MGLLBCHEOPRD1OPRK1
SCHEMBL4749122 0.85 KDR (0.35) KDRMGLLKDM4EBCHECHRNB2
SCHEMBL4019114 0.85 SIGMAR1 (0.38) KDRMGLLBCHETLR9TLR8
SCHEMBL4019124 0.85 SIGMAR1 (0.38) KDRMGLLBCHETLR9TLR8
SCHEMBL4021758 0.84 MGLL (0.36) MGLLBCHETLR9TLR8TLR7

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-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 KDR 4166/4885BRD4 1115/4885MGLL 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.