SCHEMBL4028149

SCHEMBL4028149

CNC(=O)CN1CC(C(=O)c2ccccc2)C(c2cccc(C)c2C)C(C(=O)c2ccccc2)C1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.38
KMT2A Q03164 6/20 0.38
DRD4 P21917 1/20 0.37
ALDH1A1 P00352 2/20 0.36
GAA P10253 2/20 0.36
POLB P06746 1/20 0.36
GRIN2B Q13224 1/20 0.36
KIF11 P52732 1/20 0.35
RORC P51449 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
NPC1 O15118 1/20 0.34
LMNA P02545 1/20 0.34
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL4028188 1.00 MEN1 (0.38) MEN1KMT2ADRD4ALDH1A1GAA
SCHEMBL4028145 1.00 MEN1 (0.38) MEN1KMT2ADRD4ALDH1A1GAA
SCHEMBL4772583 0.90 MEN1 (0.39) MEN1KMT2AALDH1A1GAAPOLB
SCHEMBL4021978 0.89 MEN1 (0.42) MEN1KMT2ADRD4ALDH1A1GAA
SCHEMBL4021974 0.89 MEN1 (0.42) MEN1KMT2ADRD4ALDH1A1GAA
SCHEMBL4022415 0.89 GRIN2B (0.38) MEN1KMT2AALDH1A1GRIN2BKIF11
SCHEMBL4021208 0.89 GRIN2B (0.38) MEN1KMT2AALDH1A1GRIN2BKIF11
SCHEMBL4021213 0.89 GRIN2B (0.38) MEN1KMT2AALDH1A1GRIN2BKIF11
SCHEMBL4028786 0.87 MEN1 (0.40) MEN1KMT2ADRD4ALDH1A1GAA
SCHEMBL4028782 0.87 MEN1 (0.40) MEN1KMT2ADRD4ALDH1A1GAA

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 6 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
EP-1962846-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS Cytokinetics, Inc. (US) 2008-09-03 EP disclosed
US-20070161674-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2007-07-12 US disclosed
WO-2007059323-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. (US) 2007-05-24 WO 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 MEN1 77/4885KMT2A 2820/4885DRD4 2983/4885

“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.