SCHEMBL4831082

SCHEMBL4831082

CCN(C[C@H]1CC[C@H](CC(=O)O)CC1)c1ccc(OC(F)(F)F)cc1CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1noc(C)n1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CETP P11597 1/20 0.37
PTGDR2 Q9Y5Y4 2/20 0.36
FFAR4 Q5NUL3 7/20 0.36
SERPINE1 P05121 5/20 0.34
ENPP2 Q13822 1/20 0.32
CYP3A4 P08684 3/20 0.32
TACR1 P25103 3/20 0.32
DRD3 P35462 1/20 0.32
S1PR1 P21453 1/20 0.32

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
Hydrochloric Acid SCHEMBL680071 0.99 CETP (0.36) CETPPTGDR2FFAR4SERPINE1ENPP2
Hydrochloric Acid SCHEMBL680072 0.99 CETP (0.36) CETPPTGDR2FFAR4SERPINE1ENPP2
SCHEMBL4826879 0.93 PTGDR2 (0.38) CETPPTGDR2SERPINE1ENPP2
Hydrochloric Acid SCHEMBL1899923 0.92 PTGDR2 (0.37) CETPPTGDR2SERPINE1ENPP2
Bicarbonate SCHEMBL5182373 0.91 CETP (0.37) CETPPTGDR2SERPINE1ENPP2TACR1
SCHEMBL4831251 0.86 TACR1 (0.36) CETPPTGDR2FFAR4CYP3A4TACR1
Hydrochloric Acid SCHEMBL681028 0.85 TACR1 (0.36) CETPPTGDR2FFAR4CYP3A4TACR1
Hydrochloric Acid SCHEMBL681027 0.85 TACR1 (0.36) CETPPTGDR2FFAR4CYP3A4TACR1
SCHEMBL4827053 0.85 SERPINE1 (0.41) CETPPTGDR2FFAR4SERPINE1DRD3
Hydrochloric Acid SCHEMBL681217 0.84 SERPINE1 (0.40) CETPPTGDR2FFAR4SERPINE1DRD3

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-7332514-B2 Dibenzylamine compound and medicinal use thereof JAPAN TOBACCO INC. (JP) 2008-02-19 US claimed
US-7807701-B2 Dibenzylamine compounds and pharmaceutical use thereof JAPAN TOBACCO INC. (JP) 2010-10-05 US disclosed
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-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
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 1/4885PTGDR2 4288/4885FFAR4 557/4885

“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.