SCHEMBL5036076

SCHEMBL5036076

O=C(O)[C@H]1CCCN1C(=O)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.64
ALDH1A1 P00352 2/20 0.61
L3MBTL1 Q9Y468 2/20 0.59
TDP1 Q9NUW8 1/20 0.58
GYS1 P13807 1/20 0.56
HPGD P15428 1/20 0.55
MAPK1 P28482 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
DGAT1 O75907 2/20 0.54
FASN P49327 1/20 0.52

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
SCHEMBL1750558 1.00 CA2 (0.64) CA2ALDH1A1L3MBTL1TDP1GYS1
SCHEMBL5035705 0.95 TDP1 (0.64) CA2ALDH1A1L3MBTL1TDP1GYS1
SCHEMBL5035699 0.95 TDP1 (0.64) CA2ALDH1A1L3MBTL1TDP1GYS1
SCHEMBL5702038 0.91 HPGD (0.54) CA2ALDH1A1L3MBTL1TDP1HPGD
SCHEMBL5702058 0.91 HPGD (0.54) CA2ALDH1A1L3MBTL1TDP1HPGD
SCHEMBL13229 0.91 CA2 (0.67) CA2ALDH1A1L3MBTL1TDP1NPSR1
SCHEMBL13230 0.91 CA2 (0.67) CA2ALDH1A1L3MBTL1TDP1NPSR1
SCHEMBL28789388 0.91 CA2 (0.67) CA2ALDH1A1L3MBTL1TDP1NPSR1
SCHEMBL5537767 0.91 CA2 (0.75) CA2ALDH1A1L3MBTL1TDP1HPGD
SCHEMBL6787910 0.91 CA2 (0.75) CA2ALDH1A1L3MBTL1TDP1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1263730-B1 AMINE DERIVATIVES FOR THE TREATMENT OF APOPTOSIS SERONO LAB (CH) 2008-01-09 EP claimed
US-6770656-B2 NEURODEGENERATIVE DISORDERS; ANTIEPILEPTIC AND ANTIISCHEMIC AGENTS; INFERTILITY, CARDIOVASCULAR DISORDERS, RENAL HYPOXIA, HEPATITIS AND AIDS TREATMENT APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (NL) 2004-08-03 US claimed
US-20030216427-A1 Amine derivatives for the treatment of apoptosis MERCK SERONO SA (CH) 2003-11-20 US claimed
EP-1263730-B1 AMINE DERIVATIVES FOR THE TREATMENT OF APOPTOSIS SERONO LAB (CH) 2008-01-09 EP disclosed
US-6770656-B2 NEURODEGENERATIVE DISORDERS; ANTIEPILEPTIC AND ANTIISCHEMIC AGENTS; INFERTILITY, CARDIOVASCULAR DISORDERS, RENAL HYPOXIA, HEPATITIS AND AIDS TREATMENT APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (NL) 2004-08-03 US disclosed
US-20030216427-A1 Amine derivatives for the treatment of apoptosis MERCK SERONO SA (CH) 2003-11-20 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-20030216427-A1 Amine derivatives for the treatment of apoptosis BAD, BAX, BCL2 CA2 4495/4885ALDH1A1 1684/4885L3MBTL1 2909/4885

“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.