SCHEMBL1898564

SCHEMBL1898564

CCCC(CCC)c1cc(C)c(C)cc1C(C)N(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 9/20 0.40
UBE2M P61081 6/20 0.39
DCUN1D1 Q96GG9 6/20 0.39
S1PR1 P21453 1/20 0.35
SERPINE1 P05121 1/20 0.35
GPBAR1 Q8TDU6 1/20 0.35
RXRA P19793 2/20 0.34
RXRB P28702 2/20 0.34
RXRG P48443 1/20 0.34

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
SCHEMBL5148326 0.83 TACR1 (0.39) TACR1UBE2MDCUN1D1S1PR1SERPINE1
SCHEMBL5148339 0.81 GPBAR1 (0.42) TACR1GPBAR1RXRARXRBRXRG
SCHEMBL5148341 0.79 RXRA (0.35) TACR1UBE2MDCUN1D1RXRARXRG
SCHEMBL5148343 0.75 TACR1 (0.40) TACR1SERPINE1
SCHEMBL5149890 0.74 TACR1 (0.39) TACR1UBE2MDCUN1D1SERPINE1
SCHEMBL5148340 0.74 TACR1 (0.41) TACR1SERPINE1
SCHEMBL1898562 0.74 CETP (0.53)
SCHEMBL5147175 0.73 TACR1 (0.46) TACR1UBE2MDCUN1D1SERPINE1GPBAR1
SCHEMBL1893337 0.73 TACR1 (0.44) TACR1SERPINE1
SCHEMBL5150827 0.72 UBE2M (0.34) TACR1UBE2MDCUN1D1

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 7 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
EP-2319509-A1 Method of Inhibiting remnant lipoprotein production Japan Tobacco, Inc. (JP) 2011-05-11 EP disclosed
EP-2316447-A1 Method of inhibiting remnant lipoprotein production Japan Tobacco, Inc. (JP) 2011-05-04 EP 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 TACR1 1329/4885UBE2M 2671/4885DCUN1D1 4486/4885
US-20110189210-A1 METHOD OF INHIBITING REMNANT LIPOPROTEIN PRODUCTION CETP, PCSK9, LIPA TACR1 1329/4885UBE2M 2671/4885DCUN1D1 4486/4885
US-20060270705-A1 Method for inhibiting lipid absorption and lipid absorption inhibitor CETP, SI, LIPC TACR1 656/4885UBE2M 3878/4885DCUN1D1 4098/4885

“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.