SCHEMBL4023685

SCHEMBL4023685

CN(C=O)OCCCN1C[C@H](C(=O)c2cccc(O)c2)C(c2cccc(Cl)c2F)[C@@H](C(=O)c2cccc(O)c2)C1

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.33
SLC6A4 P31645 1/20 0.33
DRD2 P14416 4/20 0.31
KDR P35968 1/20 0.31
HTR1A P08908 3/20 0.31
BCHE P06276 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
HRH2 P25021 3/20 0.31
HRH1 P35367 3/20 0.31
MEN1 O00255 1/20 0.31
MAPK1 P28482 1/20 0.31
KMT2A Q03164 1/20 0.31
KDM2B Q8NHM5 1/20 0.30
HTR2A P28223 2/20 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
SCHEMBL4022193 0.92 DRD2 (0.37) HRH3SLC6A4DRD2KDRHTR1A
SCHEMBL4021726 0.91 GRIN1 (0.32) DRD2KDRHTR1ADRD1DRD4
SCHEMBL4026474 0.88 MET (0.32) DRD2KDRHTR1ADRD1DRD4
SCHEMBL4021304 0.83 HRH3 (0.30) HRH3
SCHEMBL4022053 0.81 MGLL (0.36) MEN1MAPK1KMT2AKDM2B
SCHEMBL4025128 0.81 HRH3 (0.33) HRH3SLC6A4KDRHRH2HRH1
SCHEMBL4027285 0.80 MEN1 (0.35) DRD2DRD1MEN1MAPK1KMT2A
SCHEMBL4025347 0.72 KIF11 (0.37) DRD2KDRHTR1ABCHEDRD1
SCHEMBL4019102 0.72 ACHE (0.37) DRD2KDRHTR1ABCHEDRD1
SCHEMBL4027068 0.72 GRIN1 (0.35) KDM2B

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 HRH3 1935/4885SLC6A4 4480/4885DRD2 3430/4885

“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.