SCHEMBL5487488

SCHEMBL5487488

N=C(N)NCCCCNC(=O)[C@H](Cc1ccc(-c2ccccc2)cc1)NC(=O)CCCC(=O)O

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.53
CHRNB4 P30926 1/20 0.53
CHRNA3 P32297 1/20 0.53
CHRNA4 P43681 1/20 0.53
FOLH1 Q04609 1/20 0.52
MME P08473 2/20 0.52
ACE P12821 2/20 0.52
GRIA1 P42261 1/20 0.52
NPY4R P50391 2/20 0.52
NPY1R P25929 1/20 0.52
NPY2R P49146 1/20 0.52
NPY5R Q15761 1/20 0.52
CHRND Q07001 4/20 0.51
CHRNA1 P02708 1/20 0.51
CHRNG P07510 1/20 0.51
CHRNB1 P11230 1/20 0.51
CTSL P07711 1/20 0.51
PTPN1 P18031 1/20 0.49

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
SCHEMBL5488639 1.00 CHRNB2 (0.53) CHRNB2CHRNB4CHRNA3CHRNA4FOLH1
SCHEMBL5491137 0.97 NPY4R (0.53) CHRNB2CHRNB4CHRNA3CHRNA4FOLH1
SCHEMBL5496626 0.97 NPY4R (0.53) CHRNB2CHRNB4CHRNA3CHRNA4FOLH1
SCHEMBL14598256 0.95 CHRNB2 (0.53) CHRNB2CHRNB4CHRNA3CHRNA4FOLH1
SCHEMBL14598255 0.95 CHRNB2 (0.53) CHRNB2CHRNB4CHRNA3CHRNA4FOLH1
SCHEMBL5487472 0.95 CHRNB2 (0.58) CHRNB2CHRNB4CHRNA3CHRNA4GRIA1
SCHEMBL5493873 0.95 CHRNB2 (0.58) CHRNB2CHRNB4CHRNA3CHRNA4GRIA1
SCHEMBL5489872 0.91 CHRNB2 (0.57) CHRNB2CHRNB4CHRNA3CHRNA4GRIA1
SCHEMBL5488598 0.91 CHRNB2 (0.57) CHRNB2CHRNB4CHRNA3CHRNA4GRIA1
SCHEMBL14598306 0.90 NPY4R (0.62) NPY4RNPY1RNPY2RNPY5R

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
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

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 CHRNB2 3208/4885CHRNB4 3005/4885CHRNA3 3504/4885

“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.