SCHEMBL4021079

SCHEMBL4021079

COc1cccc(C2C(C(=O)c3ccccc3)CN(CC(=O)N(C)C)CC2C(=O)c2ccccc2)c1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 3/20 0.45
KDM2B Q8NHM5 4/20 0.45
KMT2A Q03164 3/20 0.44
MEN1 O00255 1/20 0.44
HTT P42858 1/20 0.44
CCR5 P51681 1/20 0.43
POLB P06746 1/20 0.43
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.42
LMNA P02545 1/20 0.42
TSHR P16473 1/20 0.42
ABL1 P00519 1/20 0.42
EGFR P00533 1/20 0.42
SRC P12931 1/20 0.42
ABL2 P42684 1/20 0.42
SIRT3 Q9NTG7 1/20 0.41
GAA P10253 1/20 0.41

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
SCHEMBL4021076 1.00 GRIN2B (0.45) GRIN2BKDM2BKMT2AMEN1HTT
SCHEMBL4774225 0.93 KMT2A (0.46) GRIN2BKDM2BKMT2AMEN1HTT
SCHEMBL4774221 0.93 KMT2A (0.46) GRIN2BKDM2BKMT2AMEN1HTT
SCHEMBL4021770 0.89 KMT2A (0.53) GRIN2BKDM2BKMT2AMEN1POLB
SCHEMBL4021772 0.89 KMT2A (0.53) GRIN2BKDM2BKMT2AMEN1POLB
SCHEMBL4751419 0.87 MEN1 (0.40) GRIN2BKMT2AMEN1ALDH1A1TSHR
SCHEMBL4751416 0.87 MEN1 (0.40) GRIN2BKMT2AMEN1ALDH1A1TSHR
SCHEMBL4813149 0.87 KMO (0.42) GRIN2BKDM2BKMT2AMEN1
SCHEMBL4024572 0.86 RORC (0.43) GRIN2BKDM2BKMT2AMEN1ALDH1A1
SCHEMBL4019710 0.86 RORC (0.43) GRIN2BKDM2BKMT2AMEN1ALDH1A1

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 GRIN2B 4170/4885KDM2B 3090/4885KMT2A 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.