SCHEMBL5455660

SCHEMBL5455660

CCCCOC(=O)N(OC(=O)CCc1ccccc1)C(=N)N(C)C(C(=O)O)C1CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.39
TDP1 Q9NUW8 1/20 0.35
AKR1C3 P42330 1/20 0.35
PPARG P37231 2/20 0.34
EPHX2 P34913 3/20 0.34
CYP3A4 P08684 2/20 0.34
CHRM2 P08172 1/20 0.34
HTR1A P08908 1/20 0.34
ADRA2A P08913 1/20 0.34
CHRM1 P11229 1/20 0.34
DRD1 P21728 1/20 0.34
SLC6A2 P23975 1/20 0.34
ADRA1A P35348 1/20 0.34
OPRM1 P35372 1/20 0.34
DRD3 P35462 1/20 0.34
SLC6A3 Q01959 1/20 0.34
KCNH2 Q12809 1/20 0.34
LMNA P02545 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 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
SCHEMBL5461306 0.96 EPHX2 (0.37) L3MBTL1PPARGEPHX2CHRM2HTR1A
SCHEMBL5324822 0.95 L3MBTL1 (0.41) L3MBTL1TDP1AKR1C3EPHX2CYP3A4
SCHEMBL5467951 0.91 EPHX2 (0.38) L3MBTL1EPHX2CYP3A4CHRM2HTR1A
SCHEMBL5458827 0.91 L3MBTL1 (0.39) L3MBTL1TDP1PPARGEPHX2CYP3A4
SCHEMBL5458039 0.91 L3MBTL1 (0.44) L3MBTL1TDP1CYP3A4LMNACYP2D6
SCHEMBL5452080 0.88 L3MBTL1 (0.39) L3MBTL1TDP1AKR1C3EPHX2RECQL
SCHEMBL5456436 0.88 L3MBTL1 (0.43) L3MBTL1EPHX2LMNATSHREPHX1
SCHEMBL5469999 0.86 L3MBTL1 (0.40) L3MBTL1EPHX2CYP3A4CHRM2HTR1A
SCHEMBL5457958 0.84 EPHX2 (0.38) L3MBTL1EPHX2EPHX1
SCHEMBL5470018 0.84 TDP1 (0.40) L3MBTL1TDP1AKR1C3CYP3A4TSHR

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 2963/4885TDP1 828/4885AKR1C3 748/4885

“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.