SCHEMBL6831402

SCHEMBL6831402

CC(C)C(C(=O)NCCCCCN)N(C)C(=O)Cc1ccc(OCc2ccccc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 6/20 0.53
EPOR P19235 4/20 0.51
CHRNA1 P02708 2/20 0.49
CHRNG P07510 2/20 0.49
CHRNB1 P11230 2/20 0.49
CHRND Q07001 2/20 0.49
LTB4R Q15722 1/20 0.48
LTB4R2 Q9NPC1 1/20 0.48
REN P00797 1/20 0.47
LTA4H P09960 1/20 0.47
PLG P00747 1/20 0.46
PRSS1 P07477 1/20 0.46
PRSS2 P07478 1/20 0.46
PRSS3 P35030 1/20 0.46
GRIA1 P42261 1/20 0.45

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
SCHEMBL6830379 1.00 ALOX5 (0.53) ALOX5EPORCHRNA1CHRNGCHRNB1
SCHEMBL6827714 1.00 ALOX5 (0.53) ALOX5EPORCHRNA1CHRNGCHRNB1
SCHEMBL6831056 0.87 EPOR (0.56) ALOX5EPORLTB4RLTB4R2REN
SCHEMBL6828005 0.86 CHRND (0.49) CHRNA1CHRNGCHRNB1CHRNDREN
SCHEMBL7707896 0.86 CHRND (0.49) CHRNA1CHRNGCHRNB1CHRNDREN
SCHEMBL6831117 0.86 CHRND (0.49) CHRNA1CHRNGCHRNB1CHRNDREN
SCHEMBL6827545 0.86 CHRND (0.49) CHRNA1CHRNGCHRNB1CHRNDREN
SCHEMBL6740997 0.84 ALOX5 (0.62) ALOX5LTB4RLTB4R2LTA4H
SCHEMBL6830073 0.73 EPOR (0.40) EPORCHRNA1CHRNGCHRNB1CHRND
SCHEMBL6741455 0.72 MMP2 (0.47) ALOX5LTB4RLTB4R2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-A1 AMINE DERIVATIVES FOR THE TREATMENT OF APOPTOSIS Applied Research Systems ARS Holding N.V. (AN) 2002-12-11 EP claimed
WO-2001060798-A1 AMINE DERIVATIVES FOR THE TREATMENT OF APOPTOSIS APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2001-08-23 WO claimed
EP-1125925-A1 Amine derivatives for the treatment of apoptosis Applied Research Systems ARS Holding N.V. (AN) 2001-08-22 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 disclosed
US-20030216427-A1 Amine derivatives for the treatment of apoptosis MERCK SERONO SA (CH) 2003-11-20 US disclosed
EP-1263730-A1 AMINE DERIVATIVES FOR THE TREATMENT OF APOPTOSIS Applied Research Systems ARS Holding N.V. (AN) 2002-12-11 EP disclosed
WO-2001060798-A1 AMINE DERIVATIVES FOR THE TREATMENT OF APOPTOSIS APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2001-08-23 WO disclosed
EP-1125925-A1 Amine derivatives for the treatment of apoptosis Applied Research Systems ARS Holding N.V. (AN) 2001-08-22 EP 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 ALOX5 536/4885EPOR 1207/4885CHRNA1 3235/4885

“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.