SCHEMBL13118409

SCHEMBL13118409

[C-]#[N+]c1cc(CN(Cc2cc3c(cc2N(CC)C[C@H]2CC[C@H](C(=O)O)CC2)CCCC3)c2ccn(C)n2)cc(C(F)(F)F)c1

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CETP P11597 2/20 0.34
CXCR3 P49682 2/20 0.32
PTGDR2 Q9Y5Y4 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
SCHEMBL13118415 0.99 CETP (0.34) CETPCXCR3PTGDR2
SCHEMBL4830767 0.93 CETP (0.38) CETPCXCR3PTGDR2
SCHEMBL13118407 0.93 CXCR3 (0.31) CXCR3
Hydrochloric Acid SCHEMBL1903810 0.93 CETP (0.37) CETPCXCR3PTGDR2
SCHEMBL4830761 0.92 CETP (0.38) CETPCXCR3PTGDR2
SCHEMBL13118414 0.92
Hydrochloric Acid SCHEMBL1900215 0.91 CETP (0.37) CETPCXCR3PTGDR2
SCHEMBL13118450 0.89 CETP (0.34) CETPCXCR3
SCHEMBL4828826 0.88 TAS2R14 (0.34) CETPCXCR3PTGDR2
Hydrochloric Acid SCHEMBL1897774 0.88 TAS2R14 (0.34) CETPCXCR3PTGDR2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7807701-B2 Dibenzylamine compounds and pharmaceutical use thereof JAPAN TOBACCO INC. (JP) 2010-10-05 US disclosed
US-20080146620-A1 Dibenzylamine Compounds and Pharmaceutical Use Thereof JAPAN TOBACCO INC. (JP) 2008-06-19 US disclosed
US-7332514-B2 Dibenzylamine compound and medicinal use thereof JAPAN TOBACCO INC. (JP) 2008-02-19 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 (1 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-20080146620-A1 Dibenzylamine Compounds and Pharmaceutical Use Thereof CETP, PCSK9, CES1 CETP 1/4885CXCR3 2060/4885PTGDR2 4288/4885

“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.