SCHEMBL4026907

SCHEMBL4026907

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

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 10/20 0.34
BCHE P06276 1/20 0.34
OPRD1 P41143 2/20 0.32
OPRK1 P41145 2/20 0.32
KIF11 P52732 4/20 0.32
OPRM1 P35372 1/20 0.31
SLC2A1 P11166 1/20 0.31
SLC2A4 P14672 1/20 0.31
KDR P35968 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
SCHEMBL13721114 1.00 MGLL (0.34) MGLLBCHEOPRD1OPRK1KIF11
SCHEMBL4026923 1.00 MGLL (0.34) MGLLBCHEOPRD1OPRK1KIF11
SCHEMBL4025089 0.90 MGLL (0.34) MGLLSLC2A1SLC2A4
SCHEMBL4025081 0.90 MGLL (0.34) MGLLSLC2A1SLC2A4
SCHEMBL13721648 0.89 HSD11B1 (0.38) MGLL
SCHEMBL4022333 0.85 BCHE (0.36) MGLLBCHEOPRD1OPRK1KIF11
SCHEMBL13721155 0.85 BCHE (0.36) MGLLBCHEOPRD1OPRK1KIF11
SCHEMBL4018821 0.85 BCHE (0.36) MGLLBCHEOPRD1OPRK1KIF11
SCHEMBL4019124 0.85 SIGMAR1 (0.38) MGLLBCHEOPRD1OPRK1OPRM1
SCHEMBL4019114 0.85 SIGMAR1 (0.38) MGLLBCHEOPRD1OPRK1OPRM1

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 3 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-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 MGLL 2929/4885BCHE 1682/4885OPRD1 4504/4885

“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.