SCHEMBL6827545

SCHEMBL6827545

CC(C)C(C(=O)NCCCCCCN)N(C)C(=O)Cc1ccc(-c2ccccc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRND Q07001 8/20 0.49
CHRNA1 P02708 4/20 0.49
CHRNG P07510 4/20 0.49
CHRNB1 P11230 4/20 0.49
TLR2 O60603 1/20 0.46
GRIA1 P42261 2/20 0.45
F2 P00734 1/20 0.42
BACE1 P56817 1/20 0.42
REN P00797 1/20 0.40
CHRNB2 P17787 1/20 0.40
CHRNB4 P30926 1/20 0.40
CHRNA3 P32297 1/20 0.40
CHRNA4 P43681 1/20 0.40

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
SCHEMBL6828005 1.00 CHRND (0.49) CHRNDCHRNA1CHRNGCHRNB1TLR2
SCHEMBL7707896 1.00 CHRND (0.49) CHRNDCHRNA1CHRNGCHRNB1TLR2
SCHEMBL6831117 1.00 CHRND (0.49) CHRNDCHRNA1CHRNGCHRNB1TLR2
SCHEMBL6831402 0.86 ALOX5 (0.53) CHRNDCHRNA1CHRNGCHRNB1GRIA1
SCHEMBL6827714 0.86 ALOX5 (0.53) CHRNDCHRNA1CHRNGCHRNB1GRIA1
SCHEMBL6830379 0.86 ALOX5 (0.53) CHRNDCHRNA1CHRNGCHRNB1GRIA1
SCHEMBL6830073 0.84 EPOR (0.40) CHRNDCHRNA1CHRNGCHRNB1TLR2
SCHEMBL20904188 0.73 ABCC4 (0.55)
SCHEMBL6831056 0.72 EPOR (0.56) REN
SCHEMBL6831231 0.72 GNAI3 (0.53) TLR2GRIA1

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-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-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 CHRND 3273/4885CHRNA1 3235/4885CHRNG 3261/4885

“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.