SCHEMBL6736164

SCHEMBL6736164

CC(C)(C)OC(=O)CCCNCc1cccc(N)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.40
KDM4E B2RXH2 3/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
KMT2A Q03164 1/20 0.40
HDAC8 Q9BY41 4/20 0.39
MITF O75030 1/20 0.39
GAA P10253 1/20 0.39
MAPK1 P28482 1/20 0.38
TLR7 Q9NYK1 1/20 0.38
SLC7A5 Q01650 1/20 0.38
HDAC3 O15379 3/20 0.37
HDAC1 Q13547 3/20 0.37
HDAC2 Q92769 3/20 0.37
NCOR2 Q9Y618 2/20 0.37
NAMPT P43490 1/20 0.37
ROCK2 O75116 1/20 0.37
GLS O94925 2/20 0.37
ATM Q13315 1/20 0.37
CYP1A2 P05177 1/20 0.36

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
SCHEMBL7863637 0.89 HDAC8 (0.39) MEN1KMT2AHDAC8CYP2D6CA1
SCHEMBL5625217 0.84 CA1 (0.44) CHRM2KDM4EHDAC8MITFGAA
SCHEMBL16086431 0.84 HDAC3 (0.52) CHRM2KDM4EMEN1KMT2AHDAC8
SCHEMBL8168973 0.84 LTA4H (0.50) CHRM2KDM4EMEN1ALDH1A1KMT2A
SCHEMBL6740584 0.82 THRA (0.40) CHRM2KDM4EMEN1ALDH1A1KMT2A
SCHEMBL6737324 0.81 MAPT (0.47) KDM4EMEN1ALDH1A1KMT2ACYP2D6
SCHEMBL5623578 0.81 HDAC8 (0.44) CHRM2ALDH1A1HDAC8HDAC3HDAC1
SCHEMBL27165588 0.81 FOLH1 (0.49) CHRM2KDM4EMEN1ALDH1A1KMT2A
SCHEMBL30782043 0.81 FOLH1 (0.49) CHRM2KDM4EMEN1ALDH1A1KMT2A
SCHEMBL1178025 0.80 MAOA (0.46) HDAC8SLC7A5GLS

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-20040127507-A1 Imidazolidine compounds MILLENNIUM PHARMACEUTICALS, INC. (US) 2004-07-01 US disclosed
US-20040122026-A1 Imidazolidine compounds MILLENNIUM PHARMACEUTICALS, INC. 2004-06-24 US disclosed
US-20030225288-A1 Imidazolidine compounds MILLENNIUM PHARMACEUTICALS, INC. 2003-12-04 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 (3 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-20040127507-A1 Imidazolidine compounds IRAK1, IRAK4, IRAK2 CHRM2 2678/4885KDM4E 4423/4885MEN1 2934/4885
US-20030225288-A1 Imidazolidine compounds IRAK1, IRAK4, IRAK2 CHRM2 2678/4885KDM4E 4423/4885MEN1 2934/4885
US-20040122026-A1 Imidazolidine compounds IRAK1, IRAK4, IRAK2 CHRM2 2678/4885KDM4E 4423/4885MEN1 2934/4885

“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.