SCHEMBL2264290

SCHEMBL2264290

CCCCN(CC)c1cc2ccccc2cc1CN(C(=O)O)C(C)c1cc(C#N)cc(C(F)(F)F)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 3/20 0.35
TAS2R14 Q9NYV8 1/20 0.33
CYP3A4 P08684 1/20 0.32
MAPT P10636 1/20 0.32
MAPK1 P28482 1/20 0.32
KCNH2 Q12809 2/20 0.32
CTSK P43235 1/20 0.32
PSEN1 P49768 1/20 0.32
PSEN2 P49810 1/20 0.32
APH1B Q8WW43 1/20 0.32
NCSTN Q92542 1/20 0.32
APH1A Q96BI3 1/20 0.32
PSENEN Q9NZ42 1/20 0.32
TACR1 P25103 2/20 0.32
RXRA P19793 1/20 0.32
RXRG P48443 1/20 0.32
NR1H2 P55055 2/20 0.32
NR1H3 Q13133 2/20 0.32
PTGES O14684 1/20 0.31
CXCR3 P49682 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
SCHEMBL2265051 0.86 CYP3A4 (0.32) GPBAR1CYP3A4MAPTMAPK1PSEN1
SCHEMBL5670517 0.83 KCNH2 (0.38) GPBAR1TAS2R14CYP3A4MAPTMAPK1
SCHEMBL1899458 0.77 CETP (0.46)
SCHEMBL5148374 0.77 SERPINE1 (0.39) CYP3A4MAPTMAPK1RXRARXRG
SCHEMBL2264234 0.74 CYP3A4 (0.34) GPBAR1CYP3A4MAPTMAPK1
SCHEMBL2265549 0.74 CYP3A4 (0.33) GPBAR1CYP3A4MAPTMAPK1NR1H2
SCHEMBL2261529 0.72 CYP3A4 (0.40) GPBAR1CYP3A4MAPTMAPK1NR1H2
SCHEMBL2269142 0.71 CYP3A4 (0.41) CYP3A4MAPTMAPK1
SCHEMBL5671071 0.70 NR1H2 (0.41) CYP3A4MAPTMAPK1RXRARXRG
SCHEMBL5669136 0.69 CETP (0.34) GPBAR1CYP3A4MAPTMAPK1KCNH2

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 GPBAR1 329/4885TAS2R14 4585/4885CYP3A4 1980/4885
US-20110189210-A1 METHOD OF INHIBITING REMNANT LIPOPROTEIN PRODUCTION CETP, PCSK9, LIPA GPBAR1 329/4885TAS2R14 4585/4885CYP3A4 1980/4885
US-20060270705-A1 Method for inhibiting lipid absorption and lipid absorption inhibitor CETP, SI, LIPC GPBAR1 308/4885TAS2R14 2242/4885CYP3A4 584/4885

“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.