SCHEMBL4021726

SCHEMBL4021726

Cc1cccc(C2[C@@H](C(=O)c3cccc(O)c3)CN(CCCON(C)C=O)C[C@@H]2C(=O)c2cccc(O)c2)c1F

nearest known ligand 0.32

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 1/20 0.32
GRIN2B Q13224 1/20 0.32
KIF11 P52732 1/20 0.32
HTR1A P08908 1/20 0.31
DRD2 P14416 1/20 0.31
DRD1 P21728 1/20 0.31
DRD4 P21917 1/20 0.31
DRD5 P21918 1/20 0.31
DRD3 P35462 1/20 0.31
MET P08581 1/20 0.31
ESR1 P03372 1/20 0.31
HRH2 P25021 1/20 0.30
HRH1 P35367 1/20 0.30
KDR P35968 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
SCHEMBL4023685 0.91 HRH3 (0.33) HTR1ADRD2DRD1DRD4DRD5
SCHEMBL4026474 0.90 MET (0.32) HTR1ADRD2DRD1DRD4DRD5
SCHEMBL4021304 0.89 HRH3 (0.30)
SCHEMBL4022193 0.86 DRD2 (0.37) KIF11HTR1ADRD2DRD1DRD4
SCHEMBL4025128 0.83 HRH3 (0.33) METESR1HRH2HRH1KDR
SCHEMBL4027068 0.82 GRIN1 (0.35) GRIN1GRIN2BKIF11
SCHEMBL4020283 0.80 KDM1A (0.34) GRIN1GRIN2BKIF11HTR1ADRD2
SCHEMBL4752782 0.76 KIF11 (0.42) KIF11HTR1ADRD2DRD1DRD4
SCHEMBL4752779 0.76 KIF11 (0.42) KIF11HTR1ADRD2DRD1DRD4
SCHEMBL4025347 0.74 KIF11 (0.37) KIF11HTR1ADRD2DRD1DRD4

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 4 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-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 GRIN1 4435/4885GRIN2B 4170/4885KIF11 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.