SCHEMBL5464155

SCHEMBL5464155

CC(C)COC(=O)N(OC(=O)CCCc1ccccc1)C(=N)N(C)CC(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.40
ADRB1 P08588 1/20 0.40
ADRB3 P13945 1/20 0.40
ALOX5 P09917 2/20 0.39
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
HDAC3 O15379 1/20 0.38
MAPK1 P28482 1/20 0.38
ADRA1A P35348 1/20 0.38
HDAC4 P56524 1/20 0.38
SLC6A3 Q01959 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HDAC9 Q9UKV0 1/20 0.38
HDAC5 Q9UQL6 1/20 0.38

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
SCHEMBL5462158 0.94 TDP1 (0.41) CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL5464778 0.88 ALOX5 (0.49) ADRB2ADRB1ADRB3ALOX5SMN1; SMN2
SCHEMBL5452211 0.87 TSHR (0.41) ADRB2ADRB1ADRB3SMN1; SMN2MAPK1
SCHEMBL5362172 0.87 ADRB2 (0.38) ADRB2ADRB1ADRB3ALOX5HPGD
SCHEMBL5463553 0.87 ADRB2 (0.39) ADRB2ADRB1ADRB3ALOX5HPGD
SCHEMBL5457211 0.86 ALOX5 (0.42) ADRB2ADRB1ADRB3ALOX5SMN1; SMN2
SCHEMBL5452192 0.85 ALOX5 (0.42) ALOX5SMN1; SMN2HDAC3MAPK1ADRA1A
SCHEMBL5463947 0.84 HPGD (0.38) ADRB2ADRB1ADRB3ALOX5HPGD
SCHEMBL5458781 0.84 ALOX5 (0.39) ADRB2ADRB1ADRB3ALOX5HPGD
SCHEMBL5457214 0.82 ALOX5 (0.38) ADRB2ADRB1ADRB3ALOX5HPGD

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 ADRB2 1387/4885ADRB1 712/4885ADRB3 732/4885

“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.