SCHEMBL1899466

SCHEMBL1899466

CCCN(CCC)c1cc2c(cc1CN(Cc1cccc(C#N)c1)C(=O)OC)CCC2

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 1/20 0.41
MEP1A Q16819 1/20 0.39
MEP1B Q16820 1/20 0.39
PTGES O14684 9/20 0.37
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
CETP P11597 1/20 0.36
NR3C1 P04150 1/20 0.35
TSHR P16473 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAP2K2 P36507 1/20 0.33
CALCRL Q16602 1/20 0.33
DUSP3 P51452 1/20 0.33
PTPN5 P54829 1/20 0.33
PTPN11 Q06124 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33

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
SCHEMBL5669028 0.90 PTGES (0.39) NLRP3MEP1AMEP1BPTGESMAOA
SCHEMBL1899307 0.87 DUSP3 (0.37) PTGESCETPALDH1A1DUSP3PTPN5
SCHEMBL1902763 0.86 DUSP3 (0.39) CETPTSHRALDH1A1DUSP3PTPN5
SCHEMBL1902779 0.86 HTT (0.39) PTGESTSHRALDH1A1DUSP3PTPN5
SCHEMBL1901365 0.85 LOXL2 (0.40) MEP1BNR3C1ALDH1A1
SCHEMBL1898579 0.84 ALDH1A1 (0.42) CETPALDH1A1
SCHEMBL1899532 0.84 CETP (0.45) PTGESCETP
SCHEMBL5672380 0.79 MAOA (0.38) NLRP3MAOAMAOBNR3C1TSHR
SCHEMBL5670550 0.79 NR3C1 (0.43) CETPNR3C1ALDH1A1
SCHEMBL1897766 0.77 CETP (0.49) CETP

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 NLRP3 2988/4885MEP1A 1807/4885MEP1B 639/4885
US-20110189210-A1 METHOD OF INHIBITING REMNANT LIPOPROTEIN PRODUCTION CETP, PCSK9, LIPA NLRP3 2988/4885MEP1A 1807/4885MEP1B 639/4885
US-20060270705-A1 Method for inhibiting lipid absorption and lipid absorption inhibitor CETP, SI, LIPC NLRP3 2457/4885MEP1A 1133/4885MEP1B 897/4885

“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.