SCHEMBL4022271

SCHEMBL4022271

COC(=O)N1CCC(N2C[C@H](C(=O)c3cccc(O)c3)C(c3cccc(F)c3C)[C@@H](C(=O)c3cccc(O)c3)C2)C1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 12/20 0.39
KDM4E B2RXH2 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ABL1 P00519 1/20 0.35
EGFR P00533 1/20 0.35
SRC P12931 1/20 0.35
ABL2 P42684 1/20 0.35
GRIN1 Q05586 1/20 0.35
GRIN2B Q13224 1/20 0.35
CACNA1H O95180 1/20 0.35
RBP4 P02753 1/20 0.34
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL4022279 1.00 MGLL (0.39) MGLLKDM4EL3MBTL1ABL1EGFR
SCHEMBL4021748 0.90 MGLL (0.39) MGLLGRIN1GRIN2BALDH1A1
SCHEMBL4021759 0.90 MGLL (0.39) MGLLGRIN1GRIN2BALDH1A1
SCHEMBL4023633 0.89 MGLL (0.39) MGLLGRIN1GRIN2BALDH1A1
SCHEMBL4023652 0.89 MGLL (0.39) MGLLGRIN1GRIN2BALDH1A1
SCHEMBL4749392 0.86 MGLL (0.36) MGLLGRIN1GRIN2B
SCHEMBL4018836 0.85 GRIN1 (0.38) MGLLGRIN1GRIN2B
SCHEMBL4022671 0.83 NPSR1 (0.39) MGLLKDM4EL3MBTL1CACNA1H
SCHEMBL4021646 0.82 MC4R (0.36) MGLLGRIN1GRIN2B
SCHEMBL4752869 0.82 MEN1 (0.40) MGLL

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 MGLL 2929/4885KDM4E 4110/4885L3MBTL1 3696/4885

“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.