SCHEMBL5489223

SCHEMBL5489223

N#C/N=C(/N)NCCCCNC(=O)C1(NC(=O)CCCC(=O)O)Cc2ccccc2C1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.43
MPI P34949 4/20 0.40
LMNA P02545 1/20 0.39
TSHR P16473 1/20 0.39
CTSB P07858 1/20 0.37
CTSS P25774 1/20 0.37
PROC P04070 1/20 0.36

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
SCHEMBL14598285 1.00 F2 (0.43) F2MPILMNATSHRCTSB
SCHEMBL5489228 1.00 F2 (0.43) F2MPILMNATSHRCTSB
SCHEMBL14598330 0.85 F2 (0.37) F2MPILMNATSHRCTSB
SCHEMBL5489574 0.83 F2 (0.53) F2MPILMNATSHRPROC
SCHEMBL5497527 0.83 F2 (0.47) F2MPILMNATSHR
SCHEMBL5487558 0.77 IL23R (0.41) F2PROC
SCHEMBL14598329 0.76 HTT (0.60) LMNATSHR
SCHEMBL14598267 0.73 ITGB3 (0.49) F2MPILMNATSHR
SCHEMBL5498907 0.72 LMNA (0.43) LMNATSHR
SCHEMBL14598283 0.72 NPFFR1 (0.37) F2MPILMNATSHR

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 1 patent. 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

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 F2 3991/4885MPI 1480/4885LMNA 1617/4885

“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.