SCHEMBL4825077

SCHEMBL4825077

CCN(C[C@H]1CC[C@H](C(=O)O)CC1)c1cc2c(cc1CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(C)no1)CCCC2

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CETP P11597 7/20 0.35
LTC4S Q16873 2/20 0.31
CXCR3 P49682 1/20 0.31
PTGDR2 Q9Y5Y4 1/20 0.31
TAS2R14 Q9NYV8 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 SCHEMBL1900583 0.99 CETP (0.35) CETPLTC4SCXCR3PTGDR2
SCHEMBL4827352 0.98 CETP (0.35) CETPLTC4SPTGDR2
Hydrochloric Acid SCHEMBL1903541 0.98 CETP (0.35) CETPLTC4SPTGDR2
SCHEMBL13118456 0.93 CETP (0.32) CETP
SCHEMBL4828916 0.93 TAS2R14 (0.33) CETPCXCR3TAS2R14
Hydrochloric Acid SCHEMBL1901294 0.93 TAS2R14 (0.33) CETPTAS2R14
Bicarbonate SCHEMBL5214022 0.92 CETP (0.36) CETP
SCHEMBL4830749 0.92 TAS2R14 (0.32) CETPTAS2R14
Hydrochloric Acid SCHEMBL1904525 0.91 TAS2R14 (0.32) CETPTAS2R14
Bicarbonate SCHEMBL5182760 0.90 CETP (0.36) CETP

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 1/4885LTC4S 332/4885CXCR3 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.