SCHEMBL5496533

SCHEMBL5496533

CC(=O)N[C@@H](CCC(N)=O)C(=O)NC1(C(=O)NCCCCNc2ncccn2)Cc2ccccc2C1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
IL23R Q5VWK5 1/20 0.40
PROC P04070 8/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
KMT2A Q03164 1/20 0.38
F2 P00734 3/20 0.37
ALB P02768 1/20 0.35
GRB2 P62993 1/20 0.35
APC P25054 1/20 0.35

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
SCHEMBL5504726 0.92 MEN1 (0.41) IL23RPROCMEN1ALDH1A1HPGD
SCHEMBL5495671 0.92 MEN1 (0.41) IL23RPROCMEN1ALDH1A1HPGD
SCHEMBL14598343 0.88 MEN1 (0.41) PROCMEN1ALDH1A1HPGDKMT2A
SCHEMBL14628524 0.87 SIRT6 (0.43) IL23RPROCMEN1ALDH1A1HPGD
SCHEMBL5495108 0.87 PROC (0.45) IL23RPROCMEN1ALDH1A1HPGD
SCHEMBL5492067 0.87 PROC (0.45) IL23RPROCMEN1ALDH1A1HPGD
SCHEMBL5487558 0.82 IL23R (0.41) IL23RPROCMEN1ALDH1A1HPGD
SCHEMBL5487554 0.82 IL23R (0.41) IL23RPROCMEN1ALDH1A1HPGD
SCHEMBL14628529 0.81 MEN1 (0.51) MEN1ALDH1A1HPGDKMT2AAPC
SCHEMBL14628517 0.78 IL23R (0.38) IL23RPROCMEN1ALDH1A1HPGD

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 4 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
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 IL23R 2980/4885PROC 569/4885MEN1 4300/4885

“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.