SCHEMBL3545492

SCHEMBL3545492

CCOC(=O)C[C@H]1CC[C@@H](CN(CC)c2cc(C)c(C(F)(F)F)cc2CN(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2nnn(C)n2)CC1

nearest known ligand 0.42

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CETP P11597 20/20 0.42

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
SCHEMBL680359 1.00 CETP (0.42) CETP
SCHEMBL680360 1.00 CETP (0.42) CETP
SCHEMBL680610 0.92 CETP (0.42) CETP
SCHEMBL13118711 0.92 CETP (0.42) CETP
SCHEMBL15706285 0.92 CETP (0.40) CETP
SCHEMBL680609 0.92 CETP (0.42) CETP
SCHEMBL680983 0.92 CETP (0.38) CETP
Hydrochloric Acid SCHEMBL680533 0.91 CETP (0.41) CETP
Hydrochloric Acid SCHEMBL680534 0.91 CETP (0.41) CETP
SCHEMBL680809 0.90 CETP (0.42) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-1533292-B1 DIBENZYLAMINE COMPOUND AND MEDICINAL USE THEREOF JAPAN TOBACCO INC (JP) 2007-02-14 EP 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 (2 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 1/4885
US-20080146620-A1 Dibenzylamine Compounds and Pharmaceutical Use Thereof CETP, PCSK9, CES1 CETP 1/4885

“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.