SCHEMBL4020627

SCHEMBL4020627

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

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDR P35968 3/20 0.33
BCHE P06276 1/20 0.33
KIF11 P52732 5/20 0.32
OPRD1 P41143 1/20 0.31
OPRK1 P41145 1/20 0.31
MGLL Q99685 2/20 0.31
ACHE P22303 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
SCHEMBL4021396 0.95 BCHE (0.35) KDRBCHEKIF11OPRD1OPRK1
SCHEMBL4025347 0.85 KIF11 (0.37) KDRBCHEKIF11ACHE
SCHEMBL4019102 0.85 ACHE (0.37) KDRBCHEKIF11MGLLACHE
SCHEMBL4022425 0.84 KIF11 (0.42) KDRBCHEKIF11OPRD1OPRK1
SCHEMBL4023151 0.84 HTR7 (0.37) KDRBCHEKIF11ACHE
SCHEMBL4019124 0.83 SIGMAR1 (0.38) KDRBCHEOPRD1OPRK1MGLL
SCHEMBL4019114 0.83 SIGMAR1 (0.38) KDRBCHEOPRD1OPRK1MGLL
SCHEMBL4752760 0.83 CHRNB4 (0.32)
SCHEMBL4029041 0.83 KDM4E (0.38) KDRBCHEOPRD1OPRK1MGLL
SCHEMBL4749137 0.82 ACHE (0.35) KDRBCHEKIF11ACHE

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-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 KDR 4166/4885BCHE 1682/4885KIF11 3745/4885

“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.