SCHEMBL4830767

SCHEMBL4830767

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

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CETP P11597 5/20 0.38
CXCR3 P49682 3/20 0.34
PTGDR2 Q9Y5Y4 3/20 0.33
TAS2R14 Q9NYV8 3/20 0.33
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
GPBAR1 Q8TDU6 1/20 0.32
MEN1 O00255 1/20 0.31
GAA P10253 1/20 0.31
KMT2A Q03164 1/20 0.31
MMP13 P45452 1/20 0.31
S1PR1 P21453 1/20 0.31
LTC4S Q16873 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
Hydrochloric Acid SCHEMBL1903810 0.99 CETP (0.37) CETPCXCR3PTGDR2TAS2R14ALDH1A1
SCHEMBL4830761 0.98 CETP (0.38) CETPCXCR3PTGDR2TAS2R14GPBAR1
Hydrochloric Acid SCHEMBL1900215 0.98 CETP (0.37) CETPCXCR3PTGDR2TAS2R14GPBAR1
SCHEMBL4828826 0.93 TAS2R14 (0.34) CETPCXCR3PTGDR2TAS2R14MMP13
SCHEMBL13118409 0.93 CETP (0.34) CETPCXCR3PTGDR2
Hydrochloric Acid SCHEMBL1897774 0.93 TAS2R14 (0.34) CETPCXCR3PTGDR2TAS2R14MMP13
SCHEMBL4824131 0.92 CETP (0.33) CETPCXCR3PTGDR2
Bicarbonate SCHEMBL5217034 0.92 TACR1 (0.36) CETPCXCR3PTGDR2GPBAR1
SCHEMBL3539947 0.92 CETP (0.34) CETPCXCR3PTGDR2TAS2R14MMP13
SCHEMBL13118415 0.92 CETP (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 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 1/4885CXCR3 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.