SCHEMBL5040451

SCHEMBL5040451

O=C(O)[C@H]1CCCCN1C(=O)Cc1ccc(-c2ccccc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GYS1 P13807 1/20 0.52
MEN1 O00255 1/20 0.51
ALDH1A1 P00352 1/20 0.51
KMT2A Q03164 1/20 0.51
MAPT P10636 1/20 0.50
MME P08473 1/20 0.50
MMEL1 Q495T6 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
HPGD P15428 1/20 0.50
ACE P12821 2/20 0.48
NAAA Q02083 2/20 0.48
FAAH O00519 1/20 0.48
LTA4H P09960 3/20 0.47

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
SCHEMBL5040454 1.00 GYS1 (0.52) GYS1MEN1ALDH1A1KMT2AMAPT
SCHEMBL5037359 0.96 GYS1 (0.56) GYS1MEN1ALDH1A1KMT2AMAPT
SCHEMBL5037364 0.96 GYS1 (0.56) GYS1MEN1ALDH1A1KMT2AMAPT
SCHEMBL12798848 0.92 ACE (0.55) ALDH1A1SMN1; SMN2HPGDACELTA4H
SCHEMBL474618 0.87 ACE (0.60) ALDH1A1SMN1; SMN2ACELTA4H
SCHEMBL474742 0.87 ACE (0.60) ALDH1A1SMN1; SMN2ACELTA4H
SCHEMBL6039762 0.87 ACE (0.55) ALDH1A1KMT2ASMN1; SMN2HPGDACE
SCHEMBL3183667 0.87 ACE (0.55) ALDH1A1KMT2ASMN1; SMN2HPGDACE
SCHEMBL6786426 0.87 ACE (0.55) ALDH1A1KMT2ASMN1; SMN2HPGDACE
SCHEMBL3183657 0.87 ACE (0.55) ALDH1A1KMT2ASMN1; SMN2HPGDACE

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 GYS1 4401/4885MEN1 2861/4885ALDH1A1 1684/4885

“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.