SCHEMBL4021396

SCHEMBL4021396

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

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.35
OPRD1 P41143 6/20 0.32
OPRK1 P41145 4/20 0.32
MGLL Q99685 4/20 0.32
KIF11 P52732 4/20 0.32
KDR P35968 2/20 0.31
OPRM1 P35372 5/20 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
SCHEMBL4020627 0.95 KDR (0.33) BCHEOPRD1OPRK1MGLLKIF11
SCHEMBL4752760 0.84 CHRNB4 (0.32)
SCHEMBL4029041 0.84 KDM4E (0.38) BCHEOPRD1OPRK1MGLLKDR
SCHEMBL4022333 0.84 BCHE (0.36) BCHEOPRD1OPRK1MGLLKIF11
SCHEMBL13721155 0.84 BCHE (0.36) BCHEOPRD1OPRK1MGLLKIF11
SCHEMBL4018821 0.84 BCHE (0.36) BCHEOPRD1OPRK1MGLLKIF11
SCHEMBL4019102 0.83 ACHE (0.37) BCHEMGLLKIF11KDR
SCHEMBL4025347 0.83 KIF11 (0.37) BCHEKIF11KDR
SCHEMBL4023151 0.82 HTR7 (0.37) BCHEKIF11KDR
SCHEMBL4779051 0.82 KDM4E (0.36) BCHEOPRD1OPRK1MGLLKDR

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 BCHE 1682/4885OPRD1 4504/4885OPRK1 3191/4885

“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.