SCHEMBL1899845

SCHEMBL1899845

CCN(C[C@H]1CC[C@H](C(=O)O)CC1)c1cc2c(cc1CN(Cc1cc(C#N)cc(C(F)(F)F)c1)c1ncn(C)n1)CCCC2

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CETP P11597 6/20 0.34
CXCR3 P49682 3/20 0.32
TAS2R14 Q9NYV8 1/20 0.32
DRD2 P14416 2/20 0.31
DRD3 P35462 2/20 0.31
PTGDR2 Q9Y5Y4 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
SCHEMBL5499629 0.99 CETP (0.34) CETPCXCR3TAS2R14DRD2DRD3
SCHEMBL1903637 0.99 CETP (0.34) CETPCXCR3TAS2R14DRD2DRD3
Bicarbonate SCHEMBL5192359 0.93 CETP (0.32) CETPCXCR3
SCHEMBL4828860 0.93 CETP (0.38) CETPCXCR3PTGDR2
Hydrochloric Acid SCHEMBL1902194 0.92 CETP (0.38) CETPCXCR3PTGDR2
SCHEMBL4826680 0.92 CETP (0.38) CETPCXCR3PTGDR2
SCHEMBL13140786 0.91 CXCR3 (0.33) CXCR3TAS2R14
Hydrochloric Acid SCHEMBL1899530 0.91 CETP (0.38) CETPCXCR3PTGDR2
SCHEMBL4831047 0.90 CETP (0.43) CETPTAS2R14
SCHEMBL14294173 0.90 CXCR3 (0.32) CXCR3TAS2R14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2319509-A1 Method of Inhibiting remnant lipoprotein production Japan Tobacco, Inc. (JP) 2011-05-11 EP claimed
US-20080146620-A1 Dibenzylamine Compounds and Pharmaceutical Use Thereof JAPAN TOBACCO INC. (JP) 2008-06-19 US claimed
US-7332514-B2 Dibenzylamine compound and medicinal use thereof JAPAN TOBACCO INC. (JP) 2008-02-19 US claimed
US-20070054839-A1 Method of inhibiting remnant lipoprotein production JAPAN TOBACCO INC. (JP) 2007-03-08 US claimed
EP-1533292-B1 DIBENZYLAMINE COMPOUND AND MEDICINAL USE THEREOF JAPAN TOBACCO INC (JP) 2007-02-14 EP claimed
US-20060270705-A1 Method for inhibiting lipid absorption and lipid absorption inhibitor JAPAN TOBACCO INC. (JP) 2006-11-30 US claimed
EP-1533292-A1 DIBENZYLAMINE COMPOUND AND MEDICINAL USE THEREOF JAPAN TOBACCO INC. (JP) 2005-05-25 EP claimed
US-20050059810-A1 Dibenzylamine compound and medicinal use thereof JAPAN TOBACCO INC 2005-03-17 US claimed
US-20140364493-A1 METHOD OF INHIBITING REMNANT LIPOPROTEIN PRODUCTION JAPAN TOBACCO INC. (JP) 2014-12-11 US disclosed
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
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
EP-1829858-A2 Dibenzylamine compounds and pharmaceutical use thereof Japan Tobacco, Inc. (JP) 2007-09-05 EP disclosed
US-20070054839-A1 Method of inhibiting remnant lipoprotein production JAPAN TOBACCO INC. (JP) 2007-03-08 US disclosed
EP-1533292-B1 DIBENZYLAMINE COMPOUND AND MEDICINAL USE THEREOF JAPAN TOBACCO INC (JP) 2007-02-14 EP disclosed
US-20060270705-A1 Method for inhibiting lipid absorption and lipid absorption inhibitor JAPAN TOBACCO INC. (JP) 2006-11-30 US disclosed
EP-1533292-A1 DIBENZYLAMINE COMPOUND AND MEDICINAL USE THEREOF JAPAN TOBACCO INC. (JP) 2005-05-25 EP disclosed
US-20050059810-A1 Dibenzylamine compound and medicinal use thereof JAPAN TOBACCO INC 2005-03-17 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 (6 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-20050059810-A1 Dibenzylamine compound and medicinal use thereof CETP, CES1, APOB CETP 1/4885CXCR3 1935/4885TAS2R14 3200/4885
US-20080146620-A1 Dibenzylamine Compounds and Pharmaceutical Use Thereof CETP, PCSK9, CES1 CETP 1/4885CXCR3 2060/4885TAS2R14 3220/4885
US-20070054839-A1 Method of inhibiting remnant lipoprotein production CETP, PCSK9, LIPA CETP 1/4885CXCR3 4076/4885TAS2R14 4585/4885
US-20110189210-A1 METHOD OF INHIBITING REMNANT LIPOPROTEIN PRODUCTION CETP, PCSK9, LIPA CETP 1/4885CXCR3 4076/4885TAS2R14 4585/4885
US-20060270705-A1 Method for inhibiting lipid absorption and lipid absorption inhibitor CETP, SI, LIPC CETP 1/4885CXCR3 4616/4885TAS2R14 2242/4885
US-20140364493-A1 METHOD OF INHIBITING REMNANT LIPOPROTEIN PRODUCTION CETP, PCSK9, LIPA CETP 1/4885CXCR3 4076/4885TAS2R14 4585/4885

“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.