SCHEMBL5458827

SCHEMBL5458827

CCCCOC(=O)N(OC(=O)Cc1ccccc1)C(=N)N(C)C(C(=O)O)C1CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.39
TSHR P16473 4/20 0.35
CYP3A4 P08684 3/20 0.35
CHRM2 P08172 3/20 0.35
CHRM1 P11229 3/20 0.35
HTR1A P08908 1/20 0.35
ADRA2A P08913 1/20 0.35
DRD1 P21728 1/20 0.35
SLC6A2 P23975 1/20 0.35
ADRA1A P35348 1/20 0.35
OPRM1 P35372 1/20 0.35
DRD3 P35462 1/20 0.35
SLC6A3 Q01959 1/20 0.35
KCNH2 Q12809 1/20 0.35
LMNA P02545 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
KMT2A Q03164 1/20 0.33
EPHX2 P34913 1/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL5469999 0.95 L3MBTL1 (0.40) L3MBTL1TSHRCYP3A4CHRM2CHRM1
SCHEMBL5455660 0.91 L3MBTL1 (0.39) L3MBTL1TSHRCYP3A4CHRM2CHRM1
SCHEMBL5456461 0.91 L3MBTL1 (0.45) L3MBTL1TSHRCYP3A4CHRM2CHRM1
SCHEMBL5461306 0.91 EPHX2 (0.37) L3MBTL1CHRM2CHRM1HTR1AADRA2A
SCHEMBL5406520 0.87 L3MBTL1 (0.38) L3MBTL1TSHRCYP3A4CHRM2CHRM1
SCHEMBL5467951 0.86 EPHX2 (0.38) L3MBTL1TSHRCYP3A4CHRM2CHRM1
SCHEMBL5324822 0.86 L3MBTL1 (0.41) L3MBTL1TSHRCYP3A4CHRM2CHRM1
SCHEMBL5463665 0.83 TSHR (0.38) L3MBTL1TSHRCYP3A4ALDH1A1MAPK1
SCHEMBL5462091 0.83 TSHR (0.31) TSHR
SCHEMBL5456436 0.82 L3MBTL1 (0.43) L3MBTL1TSHRLMNAKMT2AEPHX2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070281996-A1 Creatine prodrugs, compositions and uses thereof XENOPORT, INC. 2007-12-06 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-20070281996-A1 Creatine prodrugs, compositions and uses thereof CKMT1A; CKMT1B, PYGM, TNNI3 L3MBTL1 2963/4885TSHR 3387/4885CYP3A4 1193/4885

“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.