SCHEMBL4029076

SCHEMBL4029076

Cc1c(F)cccc1C1[C@@H](C(=O)c2cccc(O)c2)CN(C2CCCCC2N)C[C@@H]1C(=O)c1cccc(O)c1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 8/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
PARP1 P09874 1/20 0.34
CYP2D6 P10635 1/20 0.34
TAAR1 Q96RJ0 1/20 0.34
KDM2B Q8NHM5 1/20 0.32
MAPT P10636 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
MAPK1 P28482 1/20 0.32
SLC2A1 P11166 1/20 0.32
SLC2A4 P14672 1/20 0.32
CHRM4 P08173 1/20 0.32
TAS1R3 Q7RTX0 1/20 0.31
TAS1R1 Q7RTX1 1/20 0.31
TAS1R2 Q8TE23 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
SCHEMBL4019273 1.00 MGLL (0.35) MGLLMEN1KMT2APARP1CYP2D6
SCHEMBL4752010 0.83 ALDH1A1 (0.38) MGLL
SCHEMBL4752021 0.83 ALDH1A1 (0.38) MGLL
SCHEMBL4021646 0.83 MC4R (0.36) MGLLMEN1KMT2AKDM2B
SCHEMBL4752869 0.82 MEN1 (0.40) MGLLMEN1KMT2AMAPK1SLC2A1
SCHEMBL4751351 0.82 MEN1 (0.40) MGLLMEN1KMT2AMAPK1SLC2A1
SCHEMBL4023658 0.82 MGLL (0.38) MGLLMEN1KMT2ASLC2A1SLC2A4
SCHEMBL4025189 0.82 MGLL (0.38) MGLLMEN1KMT2ASLC2A1SLC2A4
SCHEMBL4023656 0.82 MGLL (0.38) MGLLMEN1KMT2ASLC2A1SLC2A4
SCHEMBL4025192 0.82 MGLL (0.38) MGLLMEN1KMT2ASLC2A1SLC2A4

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 2929/4885MEN1 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.