SCHEMBL5495671

SCHEMBL5495671

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

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
KMT2A Q03164 1/20 0.41
PROC P04070 6/20 0.39
IL23R Q5VWK5 1/20 0.39
APC P25054 1/20 0.38
F2 P00734 3/20 0.37
FOLH1 Q04609 2/20 0.37
SIRT5 Q9NXA8 1/20 0.37

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 1.00 MEN1 (0.41) MEN1ALDH1A1HPGDKMT2APROC
SCHEMBL5496533 0.92 IL23R (0.40) MEN1ALDH1A1HPGDKMT2APROC
SCHEMBL14598343 0.88 MEN1 (0.41) MEN1ALDH1A1HPGDKMT2APROC
SCHEMBL14628524 0.79 SIRT6 (0.43) MEN1ALDH1A1HPGDKMT2APROC
SCHEMBL5492067 0.78 PROC (0.45) MEN1ALDH1A1HPGDKMT2APROC
SCHEMBL5495127 0.76 PROC (0.38) HPGDPROCF2
SCHEMBL14598344 0.75 PROC (0.35) PROCF2
SCHEMBL14628529 0.75 MEN1 (0.51) MEN1ALDH1A1HPGDKMT2AAPC
SCHEMBL5495697 0.75 DRD3 (0.39) MEN1ALDH1A1HPGDKMT2AFOLH1
SCHEMBL5487558 0.74 IL23R (0.41) MEN1ALDH1A1HPGDKMT2APROC

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 5 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
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 MEN1 4300/4885ALDH1A1 4076/4885HPGD 722/4885

“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.