SCHEMBL1737441

SCHEMBL1737441

COC[C@@H](N)C(=O)N(Cc1ccccc1)C(=O)OC(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
NCOR2 Q9Y618 1/20 0.42
AKT1 P31749 3/20 0.41
SLC7A5 Q01650 1/20 0.40
L3MBTL1 Q9Y468 3/20 0.40
CHRNB2 P17787 1/20 0.39
CHRNB4 P30926 1/20 0.39
CHRNA3 P32297 1/20 0.39
CHRNA4 P43681 1/20 0.39
IDO1 P14902 2/20 0.39
CTSL P07711 2/20 0.37
CTSB P07858 2/20 0.37
CTSS P25774 2/20 0.37
ITGA4 P13612 1/20 0.37
ITGB7 P26010 1/20 0.37
TSHR P16473 1/20 0.36
NPSR1 Q6W5P4 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
SCHEMBL1737432 0.87 AKT1 (0.42) HDAC3HDAC1HDAC2NCOR2AKT1
SCHEMBL28557111 0.83 AKT1 (0.38) HDAC3HDAC1HDAC2NCOR2AKT1
SCHEMBL28069482 0.83 PSEN1 (0.40) HDAC3HDAC1HDAC2NCOR2AKT1
SCHEMBL10425083 0.83 CTSK (0.44) HDAC3HDAC1HDAC2NCOR2AKT1
SCHEMBL1577177 0.83 SLC7A5 (0.42) SLC7A5CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL10423913 0.82 AKT1 (0.42) HDAC3HDAC1HDAC2NCOR2AKT1
SCHEMBL10423904 0.82 AKT1 (0.41) HDAC3HDAC1HDAC2NCOR2AKT1
SCHEMBL3819098 0.81 AKT1 (0.52) HDAC3HDAC1HDAC2NCOR2AKT1
SCHEMBL10763383 0.79
SCHEMBL14935470 0.78 LMNA (0.46) SLC7A5TSHRNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110319649-A1 Intermediate for producing lacosamide and a process for its preparation and conversion to lacosamide EUTICALS GMBH (DE) 2011-12-29 US claimed
EP-2399901-A1 Intermediate for producing lacosamide and a process for its preparation and conversion to lacosamide Archimica GmbH (DE) 2011-12-28 EP claimed

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-20110319649-A1 Intermediate for producing lacosamide and a process for its preparation and conversion to lacosamide NAAA, MEP1B, BCHE HDAC3 57/4885HDAC1 270/4885HDAC2 63/4885

“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.