SCHEMBL5150109

SCHEMBL5150109

CCN(CC1CCCC1)c1cc2c(cc1C(C)N(Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)C(=O)O)CCC2

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CETP P11597 1/20 0.35
TACR1 P25103 1/20 0.32
CXCR3 P49682 2/20 0.30
PSEN1 P49768 1/20 0.30
PSEN2 P49810 1/20 0.30
APH1B Q8WW43 1/20 0.30
NCSTN Q92542 1/20 0.30
APH1A Q96BI3 1/20 0.30
PSENEN Q9NZ42 1/20 0.30

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
SCHEMBL5147194 0.91 TACR1 (0.36) TACR1CXCR3PSEN1PSEN2APH1B
SCHEMBL5670981 0.85 CETP (0.37) CETPTACR1
SCHEMBL5669609 0.85 CETP (0.37) CETPTACR1
SCHEMBL1897361 0.85 CETP (0.33) CETPTACR1CXCR3PSEN1PSEN2
SCHEMBL1898379 0.81 CETP (0.45) CETP
SCHEMBL5670198 0.80 CYP3A4 (0.33)
SCHEMBL5148327 0.79 SERPINE1 (0.36) TACR1PSEN1PSEN2APH1BNCSTN
SCHEMBL5149797 0.78 HCAR3 (0.37)
SCHEMBL5148324 0.77 CYP3A4 (0.37) TACR1PSEN1PSEN2APH1BNCSTN
SCHEMBL5148332 0.77 SERPINE1 (0.37) TACR1PSEN1PSEN2APH1BNCSTN

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 CETP 1/4885TACR1 1329/4885CXCR3 4076/4885
US-20060270705-A1 Method for inhibiting lipid absorption and lipid absorption inhibitor CETP, SI, LIPC CETP 1/4885TACR1 656/4885CXCR3 4616/4885

“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.