SCHEMBL130788

SCHEMBL130788

CC(C)(C)OC(=O)CCCOc1cnc(NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)nc1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 2/20 0.42
PSEN2 P49810 2/20 0.42
APH1B Q8WW43 2/20 0.42
NCSTN Q92542 2/20 0.42
APH1A Q96BI3 2/20 0.42
PSENEN Q9NZ42 2/20 0.42
HDAC3 O15379 3/20 0.41
HDAC1 Q13547 3/20 0.41
HDAC2 Q92769 3/20 0.41
HDAC6 Q9UBN7 3/20 0.41
VNN1 O95497 10/20 0.40
MPO P05164 1/20 0.39
MAP2K7 O14733 1/20 0.36

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
SCHEMBL12051862 0.90 VNN1 (0.44) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL135505 0.87 L3MBTL1 (0.43) HDAC3HDAC1HDAC2HDAC6VNN1
SCHEMBL15276001 0.85 PIN1 (0.46) HDAC3HDAC1HDAC2HDAC6VNN1
SCHEMBL13965629 0.83 HDAC3 (0.42) HDAC3HDAC1HDAC2HDAC6VNN1
SCHEMBL1587599 0.82 HDAC3 (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5072382 0.76 CETP (0.34) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL15276127 0.76 HDAC3 (0.39) HDAC3HDAC1HDAC2HDAC6VNN1
SCHEMBL5232560 0.74 RHOC (0.52) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL132229 0.73 CETP (0.49) HDAC3HDAC1HDAC2HDAC6
SCHEMBL130337 0.72 CETP (0.45)

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 9 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
US-20090023729-A1 Trisubstituted amine compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-01-22 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-2007088999-A1 TRISUBSTITUTED AMINE COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2007-08-09 WO 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 (3 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 PSEN1 2738/4885PSEN2 2442/4885APH1B 1286/4885
US-20090029994-A1 Trisubstituted amine compound CETP, MTTP, APOB PSEN1 2738/4885PSEN2 2442/4885APH1B 1286/4885
US-20090023729-A1 Trisubstituted amine compound CETP, MTTP, APOB PSEN1 2699/4885PSEN2 2142/4885APH1B 880/4885

“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.