SCHEMBL4020120

SCHEMBL4020120

CN(C)C(=O)CN1CC(C(=O)c2ccccc2)C(c2cccc(O)c2)C(C(=O)c2ccccc2)C1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 1/20 0.40
ABL1 P00519 1/20 0.40
EGFR P00533 1/20 0.40
LCK P06239 1/20 0.40
SRC P12931 1/20 0.40
ABL2 P42684 1/20 0.40
DRD2 P14416 4/20 0.39
DRD3 P35462 4/20 0.39
HTR1A P08908 2/20 0.39
DRD1 P21728 2/20 0.39
DRD4 P21917 2/20 0.39
DRD5 P21918 2/20 0.39
MGLL Q99685 1/20 0.39
KIF11 P52732 4/20 0.39
NFKB1 P19838 1/20 0.38
PRCP P42785 1/20 0.38
EBP Q15125 1/20 0.38
SIGMAR1 Q99720 1/20 0.38

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
SCHEMBL4020117 1.00 GRIN2B (0.40) GRIN2BABL1EGFRLCKSRC
SCHEMBL4776345 0.93 KIF11 (0.39) GRIN2BABL1EGFRLCKSRC
SCHEMBL4776354 0.93 KIF11 (0.39) GRIN2BABL1EGFRLCKSRC
SCHEMBL4813149 0.90 KMO (0.42) GRIN2BDRD2DRD3
SCHEMBL4019712 0.89 RORC (0.43) GRIN2BDRD4
SCHEMBL4019710 0.89 RORC (0.43) GRIN2BDRD4
SCHEMBL4024572 0.89 RORC (0.43) GRIN2BDRD4
SCHEMBL4024492 0.89 DRD2 (0.43) GRIN2BDRD2DRD3DRD1DRD4
SCHEMBL4024495 0.89 DRD2 (0.43) GRIN2BDRD2DRD3DRD1DRD4
SCHEMBL4749047 0.88 PARP1 (0.43)

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 4170/4885ABL1 549/4885EGFR 1673/4885

“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.