SCHEMBL129898

SCHEMBL129898

CCOC(=O)C1CCN(c2cnc(N(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)Cc3cc(C(F)(F)F)cc(Cl)c3OCc3ccccc3)nc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CETP P11597 6/20 0.43
L3MBTL1 Q9Y468 1/20 0.39
CHRM4 P08173 3/20 0.39
PDK2 Q15119 1/20 0.39
TP53 P04637 2/20 0.38
MAPT P10636 2/20 0.38
ALDH1A1 P00352 1/20 0.38
CHRM5 P08912 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL132026 0.87 CETP (0.45) CETPL3MBTL1POLB
SCHEMBL4506280 0.84 CETP (0.47) CETPPDK2MAPTALDH1A1
SCHEMBL1587600 0.83 CETP (0.49) CETPL3MBTL1PDK2
SCHEMBL4490319 0.82 CETP (0.45) CETPPDK2MAPTALDH1A1
SCHEMBL5072379 0.82 TACR1 (0.43) ALDH1A1
SCHEMBL135240 0.79 TACR1 (0.40) CETPALDH1A1
SCHEMBL1587680 0.78 CETP (0.44) CETPL3MBTL1PDK2
SCHEMBL4496376 0.78 CETP (0.46) CETPL3MBTL1PDK2MAPTALDH1A1
SCHEMBL4493367 0.78 CETP (0.43) CETPPDK2TP53MAPTALDH1A1
SCHEMBL1587774 0.77 CETP (0.57) 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
EP-1979331-B1 TRISUBSTITUTED AMINE COMPOUNDS AS INHIBITORS OF -CHOLESTERYL ESTER TRANSFER PROTEIN CETP MITSUBISHI TANABE PHARMA CORP (JP) 2012-03-07 EP disclosed
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
EP-1979331-A1 TRISUBSTITUTED AMINE COMPOUNDS AS INHIBITORS OF -CHOLESTERYL ESTER TRANSFER PROTEIN CETP Mitsubishi Tanabe Pharma Corporation (JP) 2008-10-15 EP disclosed
WO-2007088996-A1 TRISUBSTITUTED AMINE COMPOUNDS AS INHIBITORS OF -CHOLESTERYL ESTER TRANSFER PROTEIN CETP MITSUBISHI TANABE PHARMA CORPORATION (JP) 2007-08-09 WO 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 1/4885L3MBTL1 279/4885CHRM4 4188/4885
US-20090029994-A1 Trisubstituted amine compound CETP, MTTP, APOB CETP 1/4885L3MBTL1 279/4885CHRM4 4188/4885

“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.