SCHEMBL4828826

SCHEMBL4828826

CCN(C[C@H]1CC[C@H](C(=O)O)CC1)c1cc2c(cc1CN(Cc1cc(C#N)cc(C(F)(F)F)c1)c1ccn(C)n1)CCCC2

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TAS2R14 Q9NYV8 1/20 0.34
CETP P11597 3/20 0.34
CXCR3 P49682 4/20 0.33
PTGDR2 Q9Y5Y4 2/20 0.32
DRD2 P14416 2/20 0.30
DRD3 P35462 2/20 0.30
MMP13 P45452 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
Hydrochloric Acid SCHEMBL1897774 0.99 TAS2R14 (0.34) TAS2R14CETPCXCR3PTGDR2DRD2
SCHEMBL3539947 0.99 CETP (0.34) TAS2R14CETPCXCR3PTGDR2DRD2
Hydrochloric Acid SCHEMBL1903284 0.98 CETP (0.33) TAS2R14CETPCXCR3PTGDR2DRD2
SCHEMBL4830767 0.93 CETP (0.38) TAS2R14CETPCXCR3PTGDR2MMP13
SCHEMBL1899995 0.93 CETP (0.34) CETPDRD2DRD3
Bicarbonate SCHEMBL5197147 0.93 CETP (0.33) CETPCXCR3
Hydrochloric Acid SCHEMBL1903810 0.93 CETP (0.37) TAS2R14CETPCXCR3PTGDR2MMP13
Hydrochloric Acid SCHEMBL1900943 0.92 CETP (0.34) CETPDRD2DRD3
SCHEMBL4830761 0.92 CETP (0.38) TAS2R14CETPCXCR3PTGDR2
SCHEMBL1902292 0.92 CETP (0.34) CETPDRD2DRD3

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 5 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
EP-1533292-B1 DIBENZYLAMINE COMPOUND AND MEDICINAL USE THEREOF JAPAN TOBACCO INC (JP) 2007-02-14 EP claimed
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 TAS2R14 3220/4885CETP 1/4885CXCR3 2060/4885

“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.