SCHEMBL4022107

SCHEMBL4022107

Cc1c(F)cccc1C1[C@@H](C(=O)c2ccccc2Br)CN(CC(=O)N(C)C)C[C@@H]1C(=O)c1ccccc1Br

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EED O75530 6/20 0.36
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
TAS1R3 Q7RTX0 1/20 0.33
TAS1R1 Q7RTX1 1/20 0.33
TAS1R2 Q8TE23 1/20 0.33
SLC6A1 P30531 1/20 0.33
HCRTR1 O43613 2/20 0.33
HCRTR2 O43614 2/20 0.33
GRIN2B Q13224 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32
MAPT P10636 2/20 0.32
ALDH1A1 P00352 1/20 0.32
POLB P06746 1/20 0.32
HTT P42858 1/20 0.32
DRD4 P21917 1/20 0.32
RIPK1 Q13546 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
SCHEMBL4024177 1.00 EED (0.36) EEDMEN1KMT2ATAS1R3TAS1R1
SCHEMBL4019773 0.93 EED (0.33) EEDMEN1KMT2ASLC6A1HCRTR1
SCHEMBL4019770 0.93 EED (0.33) EEDMEN1KMT2ASLC6A1HCRTR1
SCHEMBL4019242 0.89 KMT2A (0.34) EEDMEN1KMT2ATAS1R3TAS1R1
SCHEMBL4024341 0.89 KMT2A (0.34) EEDMEN1KMT2ATAS1R3TAS1R1
SCHEMBL4751758 0.86 DRD4 (0.35) EEDMEN1KMT2ATAS1R3TAS1R1
SCHEMBL4027702 0.86 KDM2B (0.40) MEN1KMT2ASLC6A1GRIN2BALDH1A1
SCHEMBL4751756 0.86 DRD4 (0.35) EEDMEN1KMT2ATAS1R3TAS1R1
SCHEMBL4020606 0.86 KDM2B (0.40) MEN1KMT2ASLC6A1GRIN2BALDH1A1
SCHEMBL4020303 0.86 MC4R (0.37) EEDMEN1KMT2ATAS1R3TAS1R1

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 EED 1022/4885MEN1 77/4885KMT2A 2820/4885

“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.