SCHEMBL4022193

SCHEMBL4022193

CN(C=O)OCCCN1C[C@H](C(=O)c2cccc(O)c2)C(c2cccc(Cl)c2Cl)[C@@H](C(=O)c2cccc(O)c2)C1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 13/20 0.37
HTR1A P08908 7/20 0.34
HTR2A P28223 7/20 0.34
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33
KIF11 P52732 1/20 0.33
KDM4E B2RXH2 1/20 0.33
SLC6A4 P31645 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
DRD4 P21917 2/20 0.32
KDR P35968 1/20 0.32
DRD1 P21728 1/20 0.32
DRD5 P21918 1/20 0.32
DRD3 P35462 1/20 0.32

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 0.92 HRH3 (0.33) DRD2HTR1AHTR2ASLC6A4HRH3
SCHEMBL4026474 0.86 MET (0.32) DRD2HTR1ADRD4KDRDRD1
SCHEMBL4021726 0.86 GRIN1 (0.32) DRD2HTR1AKIF11DRD4KDR
SCHEMBL4027221 0.81 DRD2 (0.38) DRD2KDM4EDRD3
SCHEMBL4021304 0.79 HRH3 (0.30) HRH3
SCHEMBL4025128 0.79 HRH3 (0.33) KDM4ESLC6A4HRH3KDR
SCHEMBL4022053 0.71 MGLL (0.36)
SCHEMBL4027285 0.71 MEN1 (0.35) DRD2DRD1
SCHEMBL4752782 0.71 KIF11 (0.42) DRD2HTR1AKIF11DRD4KDR
SCHEMBL4752779 0.71 KIF11 (0.42) DRD2HTR1AKIF11DRD4KDR

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 DRD2 3430/4885HTR1A 4257/4885HTR2A 4141/4885

“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.