SCHEMBL1587589

SCHEMBL1587589

CCN(CCOC)c1ccc(C(F)(F)F)cc1CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ncc(N2CCC(C(=O)O)CC2)cn1

nearest known ligand 0.51

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CETP P11597 15/20 0.51
PTGDR2 Q9Y5Y4 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.35
NOTUM Q6P988 3/20 0.35

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
SCHEMBL1587752 0.99 CETP (0.51) CETPPTGDR2L3MBTL1NOTUM
SCHEMBL20768071 0.93 CETP (0.51) CETP
SCHEMBL1587749 0.93 CETP (0.44) CETPPTGDR2L3MBTL1NOTUM
SCHEMBL1587680 0.92 CETP (0.44) CETPPTGDR2L3MBTL1
SCHEMBL1587774 0.85 CETP (0.57) CETPNOTUM
SCHEMBL1588631 0.85 CETP (0.51) CETPL3MBTL1
SCHEMBL1587799 0.85 CETP (0.51) CETPL3MBTL1
SCHEMBL1587751 0.84 CETP (0.53) CETPNOTUM
SCHEMBL1587966 0.80 CETP (0.47) CETP
SCHEMBL13910238 0.80 CETP (0.47) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8076364-B2 Trisubstituted amine compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-12-13 US disclosed
US-20110092506-A1 TRISUBSTITUTED AMINE COMPOUND NAKAMURA YOSHINORI 2011-04-21 US disclosed
US-7906517-B2 Trisubstituted amine compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-03-15 US disclosed
US-20090029994-A1 Trisubstituted amine compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-01-29 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-20110092506-A1 TRISUBSTITUTED AMINE COMPOUND CETP, MTTP, APOB CETP 1/4885PTGDR2 4540/4885L3MBTL1 279/4885
US-20090029994-A1 Trisubstituted amine compound CETP, MTTP, APOB CETP 1/4885PTGDR2 4540/4885L3MBTL1 279/4885

“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.