SCHEMBL5148374

SCHEMBL5148374

CCCCN(CC)c1ccc(OC(F)(F)F)cc1C(C)N(Cc1cc(C#N)cc(C(F)(F)F)c1)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 7/20 0.39
CRHR1 P34998 1/20 0.36
NR1H2 P55055 1/20 0.36
NR1H3 Q13133 1/20 0.36
CETP P11597 2/20 0.34
ACACB O00763 1/20 0.34
RXRA P19793 1/20 0.33
RXRG P48443 1/20 0.33
ABL1 P00519 1/20 0.33
CYP3A4 P08684 1/20 0.32
MAPT P10636 1/20 0.32
MAPK1 P28482 1/20 0.32
UBE2M P61081 1/20 0.32
DCUN1D1 Q96GG9 1/20 0.32
GCGR P47871 1/20 0.32
PPARD Q03181 1/20 0.32
PPARA Q07869 1/20 0.32

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
SCHEMBL5671071 0.86 NR1H2 (0.41) SERPINE1CRHR1NR1H2NR1H3CETP
SCHEMBL5150794 0.83 SERPINE1 (0.47) SERPINE1CETPUBE2MDCUN1D1
SCHEMBL1899328 0.81 CETP (0.45) SERPINE1CRHR1NR1H2NR1H3CETP
SCHEMBL5670517 0.77 KCNH2 (0.38) NR1H2NR1H3CETPRXRARXRG
SCHEMBL2264290 0.77 GPBAR1 (0.35) NR1H2NR1H3RXRARXRGCYP3A4
SCHEMBL5148330 0.75 CETP (0.44) SERPINE1CETPRXRARXRG
SCHEMBL2261529 0.73 CYP3A4 (0.40) SERPINE1CRHR1NR1H2NR1H3CETP
SCHEMBL5669136 0.73 CETP (0.34) CETPRXRARXRGCYP3A4MAPT
SCHEMBL2265051 0.73 CYP3A4 (0.32) CYP3A4MAPTMAPK1
SCHEMBL5148324 0.73 CYP3A4 (0.37) SERPINE1NR1H2NR1H3CYP3A4MAPT

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 4 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-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 (2 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 SERPINE1 90/4885CRHR1 3294/4885NR1H2 30/4885
US-20060270705-A1 Method for inhibiting lipid absorption and lipid absorption inhibitor CETP, SI, LIPC SERPINE1 423/4885CRHR1 2726/4885NR1H2 82/4885

“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.