SCHEMBL4029254

SCHEMBL4029254

Cc1c(C#N)cccc1C1C(C(=O)c2ccccc2)CN(CC(=O)N(C)C)CC1C(=O)c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 3/20 0.37
KCNJ1 P48048 6/20 0.35
KCNH2 Q12809 3/20 0.35
ALDH1A1 P00352 4/20 0.35
LMNA P02545 2/20 0.35
KMT2A Q03164 1/20 0.35
USP2 O75604 1/20 0.35
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.35
KDM1A O60341 1/20 0.35
KIF11 P52732 2/20 0.34
CYP2D6 P10635 2/20 0.34
DRD2 P14416 2/20 0.34
KDM4E B2RXH2 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
HTR2A P28223 1/20 0.34
DRD3 P35462 1/20 0.34
THPO P40225 1/20 0.34
HIF1A Q16665 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
SCHEMBL4029251 1.00 DRD4 (0.37) DRD4KCNJ1KCNH2ALDH1A1LMNA
SCHEMBL4020739 0.92 PROKR1 (0.38) DRD4KCNH2ALDH1A1LMNAKMT2A
SCHEMBL4020735 0.92 PROKR1 (0.38) DRD4KCNH2ALDH1A1LMNAKMT2A
SCHEMBL4020347 0.86 KIF11 (0.37) KCNH2ALDH1A1LMNAKMT2AUSP2
SCHEMBL4024526 0.86 KIF11 (0.37) KCNH2ALDH1A1LMNAKMT2AUSP2
SCHEMBL4020344 0.86 KIF11 (0.37) KCNH2ALDH1A1LMNAKMT2AUSP2
SCHEMBL4779152 0.86 PROKR1 (0.35) DRD4KMT2ACYP1A2CYP3A4PROKR1
SCHEMBL4779147 0.86 PROKR1 (0.35) DRD4KMT2ACYP1A2CYP3A4PROKR1
SCHEMBL4776569 0.84 KIF11 (0.39) KMT2AKIF11RORC
SCHEMBL4776575 0.84 KIF11 (0.39) KMT2AKIF11RORC

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 DRD4 2983/4885KCNJ1 2509/4885KCNH2 3099/4885

“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.