SCHEMBL4021913

SCHEMBL4021913

CCN(CC)CCN1C[C@H](C(=O)c2cccc(O)c2)[C@H](c2cccc(F)c2C)[C@@H](C(=O)N2CCC[C@H]2C(F)(F)F)C1

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.32
OPRM1 P35372 2/20 0.32
OPRD1 P41143 2/20 0.32
OPRK1 P41145 1/20 0.32
SCN9A Q15858 2/20 0.31
KDM2B Q8NHM5 4/20 0.31
GAA P10253 1/20 0.31
BCHE P06276 1/20 0.30
CXCR4 P61073 1/20 0.30

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
SCHEMBL4028513 0.93 BCHE (0.35) SCN9AKDM2BBCHE
SCHEMBL4028507 0.93 BCHE (0.35) SCN9AKDM2BBCHE
SCHEMBL4028516 0.93 BCHE (0.35) SCN9AKDM2BBCHE
SCHEMBL4022836 0.93 BCHE (0.35) SCN9AKDM2BBCHE
SCHEMBL13721158 0.93 BCHE (0.35) SCN9AKDM2BBCHE
SCHEMBL4022533 0.93 BCHE (0.35) SCN9AKDM2BBCHE
SCHEMBL4022158 0.90 BCHE (0.31) OPRM1OPRD1SCN9AKDM2BBCHE
SCHEMBL4021872 0.90 BCHE (0.31) OPRM1OPRD1SCN9AKDM2BBCHE
SCHEMBL4752006 0.90 BCHE (0.34) SCN9AKDM2BBCHE
SCHEMBL4752003 0.90 BCHE (0.34) SCN9AKDM2BBCHE

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 HDAC4 2136/4885OPRM1 4219/4885OPRD1 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.