SCHEMBL5149797

SCHEMBL5149797

CCCN(CCC)c1cc2c(cc1C(C)N(Cc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)C(=O)O)CCC2

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 1/20 0.37
DRD2 P14416 1/20 0.33
NLRP3 Q96P20 1/20 0.32
CYP2D6 P10635 2/20 0.32
CYP2C9 P11712 2/20 0.32
CYP2C19 P33261 2/20 0.32
RECQL P46063 1/20 0.32
TP53 P04637 1/20 0.32
HTT P42858 1/20 0.32
CYP1A2 P05177 1/20 0.32
ALDH1A1 P00352 2/20 0.31
ALDH3A1 P30838 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL5669773 0.81 HCAR3 (0.40) HCAR3DRD2CYP2D6CYP2C9CYP2C19
SCHEMBL16280198 0.81 HCAR3 (0.40) HCAR3DRD2CYP2D6CYP2C9CYP2C19
SCHEMBL5148332 0.81 SERPINE1 (0.37)
SCHEMBL5148377 0.78 RIPK1 (0.39) RECQLHTTALDH1A1
SCHEMBL5150109 0.78 CETP (0.35)
SCHEMBL5148370 0.78 PSEN1 (0.36)
SCHEMBL2262814 0.78 HCAR3 (0.38) HCAR3CYP2D6CYP2C9CYP2C19RECQL
SCHEMBL5148327 0.77 SERPINE1 (0.36)
SCHEMBL1896849 0.75 CETP (0.37) HCAR3DRD2TP53HTTALDH1A1
SCHEMBL5148324 0.72 CYP3A4 (0.37)

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 HCAR3 2746/4885DRD2 4569/4885NLRP3 2988/4885
US-20060270705-A1 Method for inhibiting lipid absorption and lipid absorption inhibitor CETP, SI, LIPC HCAR3 1528/4885DRD2 4613/4885NLRP3 2457/4885

“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.