SCHEMBL5493574

SCHEMBL5493574

N=C(N)NCCCCNC(=O)[C@H](Cc1ccccc1)NC(=O)CC1(CC(=O)O)CCCCC1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRNA1 P02708 4/20 0.47
CHRNG P07510 4/20 0.47
CHRNB1 P11230 4/20 0.47
CHRND Q07001 4/20 0.47
CHRNB2 P17787 1/20 0.46
CHRNB4 P30926 1/20 0.46
CHRNA3 P32297 1/20 0.46
CHRNA4 P43681 1/20 0.46
TACR2 P21452 4/20 0.46
GRIA1 P42261 2/20 0.45
USP2 O75604 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
MMP1 P03956 1/20 0.42

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
SCHEMBL5489864 0.99 CHRNA1 (0.48) CHRNA1CHRNGCHRNB1CHRNDCHRNB2
SCHEMBL5492268 0.85 TACR2 (0.57) CHRNA1CHRNGCHRNB1CHRNDCHRNB2
SCHEMBL14598259 0.84 CHRNA1 (0.50) CHRNA1CHRNGCHRNB1CHRNDCHRNB2
SCHEMBL5494080 0.83 TACR2 (0.55) CHRNA1CHRNGCHRNB1CHRNDCHRNB2
SCHEMBL5496976 0.83 TACR2 (0.54) CHRNA1CHRNGCHRNB1CHRNDCHRNB2
SCHEMBL14598272 0.80 CHRNB2 (0.52) CHRNA1CHRNGCHRNB1CHRNDCHRNB2
SCHEMBL5491193 0.80 TACR2 (0.55) TACR2ALDH1A1MMP1
SCHEMBL5496714 0.80 CHRNB2 (0.59) CHRNA1CHRNGCHRNB1CHRNDCHRNB2
SCHEMBL5491147 0.80 CHRNB2 (0.59) CHRNA1CHRNGCHRNB1CHRNDCHRNB2
SCHEMBL5492106 0.80 GAA (0.46) CHRNA1CHRNGCHRNB1CHRNDTACR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1753782-A1 MEDIATORS OF REVERSE CHOLESTEROL TRANSPORT FOR THE TREATMENT OF HYPERCHOLESTEROLEMIA AVANIR PHARMACEUTICALS (US) 2007-02-21 EP disclosed
US-20070004644-A1 Mediators of reverse cholesterol transport for the treatment of hypercholesterolemia SIRCAR JAGADISH C 2007-01-04 US disclosed
WO-2005123770-A1 MEDIATORS OF REVERSE CHOLESTEROL TRANSPORT FOR THE TREATMENT OF HYPERCHOLESTEROLEMIA AVANIR PHARMACEUTICALS (US) 2005-12-29 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 (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-20070004644-A1 Mediators of reverse cholesterol transport for the treatment of hypercholesterolemia CETP, LDLR, NPC1L1 CHRNA1 2663/4885CHRNG 2547/4885CHRNB1 2244/4885

“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.