SCHEMBL4021684

SCHEMBL4021684

COc1cccc(C(=O)[C@H]2CN(CCNS(C)(=O)=O)C[C@H](C(=O)c3ccccc3F)[C@H]2c2cccc(F)c2C)c1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM2B Q8NHM5 3/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
GSK3B P49841 1/20 0.37
DRD4 P21917 5/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.37
KAT6A Q92794 1/20 0.37
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
MCHR1 Q99705 1/20 0.36
RAB9A P51151 2/20 0.36
NPC1 O15118 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
DRD2 P14416 1/20 0.36

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
SCHEMBL4023627 0.91 KDM2B (0.39) KDM2BDRD4HTTKMT2AKAT6A
SCHEMBL4023629 0.91 KDM2B (0.39) KDM2BDRD4HTTKMT2AKAT6A
SCHEMBL4022127 0.91 KDM2B (0.39) KDM2BDRD4HTTKMT2AKAT6A
SCHEMBL13721312 0.91 KDM2B (0.39) KDM2BDRD4HTTKMT2AKAT6A
SCHEMBL4019477 0.90 DRD4 (0.41) KDM2BDRD4CYP2C9CYP2C19MCHR1
SCHEMBL4026436 0.88 KDM2B (0.42) KDM2BL3MBTL1HTTKMT2AKAT6A
SCHEMBL4022391 0.87 KDM2B (0.37) KDM2BL3MBTL1DRD4HTTKMT2A
SCHEMBL4022390 0.87 KDM2B (0.37) KDM2BL3MBTL1DRD4HTTKMT2A
SCHEMBL13721097 0.87 KDM2B (0.37) KDM2BL3MBTL1DRD4HTTKMT2A
SCHEMBL4021154 0.84 KDM4E (0.34) KDM2BL3MBTL1GSK3BKMT2ACYP2C9

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-7572814-B2 3,5-dibenzoyl-4-phenyl-piperidine anti-cancer compounds CYTOKINETICS, INCORPORATED (US) 2009-08-11 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 KDM2B 3090/4885L3MBTL1 3696/4885GSK3B 3353/4885

“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.