SCHEMBL2269142

SCHEMBL2269142

CCCCN(CC)c1cc2c(cc1CN(C(=O)O)C(C)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)CCC2

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.41
MAPK1 P28482 2/20 0.41
MAPT P10636 1/20 0.41
TSHR P16473 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
TP53 P04637 1/20 0.31
HTT P42858 1/20 0.31

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
SCHEMBL2264234 0.88 CYP3A4 (0.34) CYP3A4MAPK1MAPT
SCHEMBL2265549 0.87 CYP3A4 (0.33) CYP3A4MAPK1MAPT
SCHEMBL2265051 0.85 CYP3A4 (0.32) CYP3A4MAPK1MAPT
SCHEMBL2261529 0.84 CYP3A4 (0.40) CYP3A4MAPK1MAPTTSHRTDP1
SCHEMBL5671315 0.83 CYP3A4 (0.43) CYP3A4MAPK1MAPTTSHRTDP1
SCHEMBL16279786 0.83 CYP3A4 (0.43) CYP3A4MAPK1MAPTTSHRTDP1
SCHEMBL2262696 0.80 MAPK1 (0.31) MAPK1
SCHEMBL1896945 0.79 CETP (0.45) CYP3A4MAPK1MAPT
SCHEMBL5148324 0.77 CYP3A4 (0.37) CYP3A4MAPK1MAPT
SCHEMBL2262814 0.77 HCAR3 (0.38) MAPTTDP1TP53HTT

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
US-20070054839-A1 Method of inhibiting remnant lipoprotein production JAPAN TOBACCO INC. (JP) 2007-03-08 US claimed
US-20060270705-A1 Method for inhibiting lipid absorption and lipid absorption inhibitor JAPAN TOBACCO INC. (JP) 2006-11-30 US claimed
US-20110189210-A1 METHOD OF INHIBITING REMNANT LIPOPROTEIN PRODUCTION JAPAN TOBACCO INC. (JP) 2011-08-04 US disclosed
US-20070054839-A1 Method of inhibiting remnant lipoprotein production JAPAN TOBACCO INC. (JP) 2007-03-08 US disclosed
US-20060270705-A1 Method for inhibiting lipid absorption and lipid absorption inhibitor JAPAN TOBACCO INC. (JP) 2006-11-30 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 (3 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-20070054839-A1 Method of inhibiting remnant lipoprotein production CETP, PCSK9, LIPA CYP3A4 1980/4885MAPK1 4133/4885MAPT 4475/4885
US-20110189210-A1 METHOD OF INHIBITING REMNANT LIPOPROTEIN PRODUCTION CETP, PCSK9, LIPA CYP3A4 1980/4885MAPK1 4133/4885MAPT 4475/4885
US-20060270705-A1 Method for inhibiting lipid absorption and lipid absorption inhibitor CETP, SI, LIPC CYP3A4 584/4885MAPK1 3539/4885MAPT 3528/4885

“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.