SCHEMBL5370889

SCHEMBL5370889

COC(=O)C(CNC(C)=O)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 11/20 0.54
MTNR1B P49286 11/20 0.54
KMT2A Q03164 2/20 0.53
GLS O94925 3/20 0.48
ESR1 P03372 1/20 0.44
ESR2 Q92731 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C19 P33261 1/20 0.44
MEN1 O00255 1/20 0.43

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
SCHEMBL6655475 0.87 MTNR1A (0.51) MTNR1AMTNR1BKMT2AGLSMEN1
SCHEMBL2684817 0.86 KMT2A (0.49) MTNR1AMTNR1BKMT2AESR1ESR2
SCHEMBL5435795 0.84 MTNR1A (0.58) MTNR1AMTNR1BGLSCYP2C19
SCHEMBL640978 0.84 MTNR1A (0.58) MTNR1AMTNR1BGLSCYP2C19
SCHEMBL27560649 0.84 SMN1; SMN2 (0.59) KMT2AMEN1
SCHEMBL1826369 0.82 MTNR1A (0.45) MTNR1AMTNR1BKMT2AMEN1
SCHEMBL17086050 0.81 KMT2A (0.47) MTNR1AMTNR1BKMT2AESR1ESR2
SCHEMBL17086035 0.81 KMT2A (0.47) MTNR1AMTNR1BKMT2AESR1ESR2
SCHEMBL24736141 0.80 LMNA (0.52) KMT2ACYP3A4CYP2C19MEN1
SCHEMBL22898379 0.80 SMN1; SMN2 (0.58) KMT2AESR1ESR2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7268164-B2 Anti-epileptogenic agents QUEENS UNIVERSITY AT KINGSTON (CA) 2007-09-11 US disclosed
US-6930112-B2 Anti-epileptogenic agents QUEEN'S UNIVERSITY AT KINGSTON (CA) 2005-08-16 US disclosed
US-20030229144-A1 Anti-epileptogenic agents QUEEN'S UNIVERSITY AT KINGSTON 2003-12-11 US disclosed
US-20030194375-A1 Administering 3-aminopropionic acid derivative as anticonvulsant QUEEN'S UNIVERSITY AT KINGSTON AND NEUROCHEM, INC. 2003-10-16 US disclosed
US-20020025949-A1 Anti-epileptogenic agents QUEEN'S UNIVERSITY AT KINGSTON 2002-02-28 US disclosed
US-6306909-B1 AMINOACID DERIVATIVES AND ESTERS QUEEN'S UNIVERSITY AT KINGSTON (CA) 2001-10-23 US disclosed
EP-0969823-A2 ANTI-EPILEPTOGENIC AGENTS QUEEN'S UNIVERSITY AT KINGSTON (CA) 2000-01-12 EP disclosed
WO-1998040055-A2 ANTI-EPILEPTOGENIC AGENTS QUEEN'S UNIVERSITY AT KINGSTON (CA) 1998-09-17 WO 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-20030229144-A1 Anti-epileptogenic agents CA3, GAP43, GRIK5 MTNR1A 410/4885MTNR1B 365/4885KMT2A 1605/4885
US-20030194375-A1 Administering 3-aminopropionic acid derivative as anticonvulsant SLC1A2, SLC1A1, SLC1A3 MTNR1A 800/4885MTNR1B 680/4885KMT2A 1066/4885
US-20020025949-A1 Anti-epileptogenic agents CA3, GAP43, GRIK5 MTNR1A 410/4885MTNR1B 365/4885KMT2A 1605/4885

“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.