SCHEMBL2265051

SCHEMBL2265051

CCCCN(CC)c1cc2c(cc1CN(C(=O)O)C(C)c1cc(C#N)cc(C(F)(F)F)c1)CCC2

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.32
MAPT P10636 1/20 0.32
MAPK1 P28482 1/20 0.32
PSEN1 P49768 1/20 0.30
PSEN2 P49810 1/20 0.30
APH1B Q8WW43 1/20 0.30
NCSTN Q92542 1/20 0.30
APH1A Q96BI3 1/20 0.30
PSENEN Q9NZ42 1/20 0.30
GPBAR1 Q8TDU6 1/20 0.30

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 0.89 CYP3A4 (0.34) CYP3A4MAPTMAPK1GPBAR1
SCHEMBL2265549 0.88 CYP3A4 (0.33) CYP3A4MAPTMAPK1GPBAR1
SCHEMBL2264290 0.86 GPBAR1 (0.35) CYP3A4MAPTMAPK1PSEN1PSEN2
SCHEMBL2269142 0.85 CYP3A4 (0.41) CYP3A4MAPTMAPK1
SCHEMBL5669136 0.83 CETP (0.34) CYP3A4MAPTMAPK1GPBAR1
SCHEMBL2262696 0.80 MAPK1 (0.31) MAPK1
SCHEMBL5148324 0.78 CYP3A4 (0.37) CYP3A4MAPTMAPK1PSEN1PSEN2
SCHEMBL1901560 0.78 CETP (0.43)
SCHEMBL2266763 0.76 EPHX1 (0.36) CYP3A4
SCHEMBL5148351 0.75 CYP3A4 (0.38) CYP3A4MAPTMAPK1PSEN1PSEN2

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 1980/4885MAPT 4475/4885MAPK1 4133/4885
US-20110189210-A1 METHOD OF INHIBITING REMNANT LIPOPROTEIN PRODUCTION CETP, PCSK9, LIPA CYP3A4 1980/4885MAPT 4475/4885MAPK1 4133/4885
US-20060270705-A1 Method for inhibiting lipid absorption and lipid absorption inhibitor CETP, SI, LIPC CYP3A4 584/4885MAPT 3528/4885MAPK1 3539/4885

“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.