SCHEMBL130307

SCHEMBL130307

COc1ccc(C(C)C)cc1-c1ccc(C(F)(F)F)cc1CNCc1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.67

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CETP P11597 19/20 0.67
NR1I2 O75469 1/20 0.54
PTGDR2 Q9Y5Y4 1/20 0.49

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
SCHEMBL3562034 0.95 CETP (0.61) CETPNR1I2PTGDR2
SCHEMBL3554119 0.91 CETP (0.64) CETPNR1I2PTGDR2
SCHEMBL3553073 0.90 CETP (0.61) CETPNR1I2PTGDR2
SCHEMBL531985 0.86 CETP (0.60) CETPNR1I2
SCHEMBL531459 0.86 CETP (0.58) CETPNR1I2
SCHEMBL4011739 0.86 CETP (0.67) CETPNR1I2
SCHEMBL3552859 0.84 CETP (0.68) CETPNR1I2PTGDR2
SCHEMBL4009039 0.84 CETP (0.68) CETPNR1I2
SCHEMBL17994030 0.83 CETP (0.72) CETPNR1I2
SCHEMBL20768070 0.83 CETP (0.66) CETPNR1I2PTGDR2

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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1737811-B1 CETP INHIBITORS MERCK SHARP & DOHME (US) 2016-08-10 EP disclosed
EP-1737811-B1 CETP INHIBITORS MERCK SHARP & DOHME (US) 2016-08-10 EP disclosed
US-8193365-B2 CETP inhibitors MERCK SHARP & DOHME CORP. (US) 2012-06-05 US disclosed
US-8193365-B2 CETP inhibitors MERCK SHARP & DOHME CORP. (US) 2012-06-05 US disclosed
US-8193365-B2 CETP inhibitors MERCK SHARP & DOHME CORP. (US) 2012-06-05 US disclosed
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-20100249024-A1 CETP INHIBITORS MERCK SHARP & DOHME CORP. (US) 2010-09-30 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
US-20070225365-A1 Cetp Inhibitors MERCK & CO., INC. (US) 2007-09-27 US disclosed
US-20070225365-A1 Cetp Inhibitors MERCK & CO., INC. (US) 2007-09-27 US disclosed
US-20070225365-A1 Cetp Inhibitors MERCK & CO., INC. (US) 2007-09-27 US disclosed
EP-1817297-A1 DIBENZYL AMINE COMPOUNDS AND DERIVATIVES Pfizer Products Inc. (US) 2007-08-15 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
EP-1737811-A1 CETP INHIBITORS Merck & Co., Inc. (US) 2007-01-03 EP disclosed
WO-2006056854-A1 DIBENZYL AMINE COMPOUNDS AND DERIVATIVES PFIZER PRODUCTS INC. (US) 2006-06-01 WO disclosed
WO-2005100298-A1 CETP INHIBITORS MERCK & CO., INC. (US) 2005-10-27 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 (4 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 1/4885NR1I2 206/4885PTGDR2 4540/4885
US-20070225365-A1 Cetp Inhibitors CETP, APOB, NPC1 CETP 1/4885NR1I2 86/4885PTGDR2 4585/4885
US-20100249024-A1 CETP INHIBITORS CETP, APOB, NPC1 CETP 1/4885NR1I2 86/4885PTGDR2 4585/4885
US-20090029994-A1 Trisubstituted amine compound CETP, MTTP, APOB CETP 1/4885NR1I2 206/4885PTGDR2 4540/4885

“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.