SCHEMBL4021941

SCHEMBL4021941

Cc1c(F)cccc1C1[C@@H](C(=O)c2cccc(O)c2)CN([C@@H](CN(C)C)C(=O)N2CCN(C)CC2)C[C@@H]1C(=O)c1cccc(O)c1

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 7/20 0.33
KIF11 P52732 2/20 0.32
ERN1 O75460 1/20 0.32
MAPT P10636 1/20 0.32
TACR1 P25103 1/20 0.32
EED O75530 1/20 0.32
SIGMAR1 Q99720 2/20 0.32
HRH4 Q9H3N8 1/20 0.32
OPRD1 P41143 1/20 0.32
OPRK1 P41145 1/20 0.32
BCHE P06276 1/20 0.32
KDM1A O60341 1/20 0.31

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
SCHEMBL4021950 1.00 MGLL (0.33) MGLLKIF11ERN1MAPTTACR1
SCHEMBL4019590 1.00 MGLL (0.33) MGLLKIF11ERN1MAPTTACR1
SCHEMBL4019600 1.00 MGLL (0.33) MGLLKIF11ERN1MAPTTACR1
SCHEMBL4021829 0.91 MAPT (0.33) MGLLERN1MAPTSIGMAR1HRH4
SCHEMBL4021831 0.91 MAPT (0.33) MGLLERN1MAPTSIGMAR1HRH4
SCHEMBL4019692 0.90 MAPT (0.33) MGLLERN1MAPTSIGMAR1HRH4
SCHEMBL4022008 0.90 MAPT (0.33) MGLLERN1MAPTSIGMAR1HRH4
SCHEMBL4019706 0.90 MAPT (0.33) MGLLERN1MAPTSIGMAR1HRH4
SCHEMBL4021994 0.90 MAPT (0.33) MGLLERN1MAPTSIGMAR1HRH4
SCHEMBL4019685 0.88 KIF11 (0.34) MGLLKIF11TACR1OPRD1OPRK1

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 MGLL 2929/4885KIF11 3745/4885ERN1 3059/4885

“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.