SCHEMBL171073

SCHEMBL171073

COc1cc(F)c(C(C)C)cc1C

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.46
GAA P10253 2/20 0.46
GFER P55789 1/20 0.46
P2RX3 P56373 2/20 0.40
P2RX2 Q9UBL9 2/20 0.40
TAAR1 Q96RJ0 1/20 0.39
LMNA P02545 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
KMT2A Q03164 1/20 0.36
TUBB1 Q9H4B7 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL5166833 0.85 P2RX3 (0.45) POLBGAAGFERP2RX3P2RX2
SCHEMBL13233479 0.84 POLB (0.55) POLBGAAGFERP2RX3P2RX2
SCHEMBL13059718 0.83 GAA (0.48) POLBGAAGFERP2RX3P2RX2
SCHEMBL12190518 0.83 P2RX3 (0.48) POLBGAAGFERP2RX3P2RX2
SCHEMBL13799265 0.83 GAA (0.52) POLBGAAGFERP2RX3P2RX2
SCHEMBL15576309 0.82 LMNA (0.35) POLBGAAGFERP2RX3P2RX2
SCHEMBL12062506 0.81 POLB (0.55) POLBGAAGFERP2RX3P2RX2
SCHEMBL12412395 0.81 POLB (0.60) POLBGAAGFERP2RX3P2RX2
SCHEMBL15012821 0.81 LMNA (0.38) LMNAALDH1A1MAPTTSHRHSD17B10
SCHEMBL21142303 0.79 GAA (0.48) POLBGAAGFERP2RX3P2RX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023230026-A1 PIPERIDINYL-METHYLPURINE BENZENES AND RELATED COMPOUNDS AND THEIR USE IN TREATING DISEASES AND CONDITIONS K36 THERAPEUTICS, INC. (US) 2023-11-30 WO disclosed
EP-1737811-B1 CETP INHIBITORS MERCK SHARP & DOHME (US) 2016-08-10 EP disclosed
US-9212118-B2 Synthesis of intermediates for preparing anacetrapib and derivatives thereof LEK PHARMACEUTICALS D.D. (SI) 2015-12-15 US disclosed
US-20140221383-A1 CETP INHIBITORS MERCK SHARP & DOHME CORP. (US) 2014-08-07 US disclosed
US-8735435-B2 CETP inhibitors MERCK SHARP & DOHME CORP. (US) 2014-05-27 US disclosed
US-20140135368-A1 SYNTHESIS OF INTERMEDIATES FOR PREPARING ANACETRAPIB AND DERIVATIVES THEREOF LEK PHARMACEUTICALS D.D. (SI) 2014-05-15 US disclosed
EP-2170058-B1 CETP INHIBITORS DERIVED FROM BENZOXAZOLE ARYLAMIDES MERCK SHARP & DOHME (US) 2013-07-03 EP disclosed
US-8445480-B2 CETP inhibitors derived from benzoxazole arylamides MERCK SHARP & DOHME CORP. (US) 2013-05-21 US disclosed
US-8293721-B2 CETP inhibitors derived from benzoxazole arylamides MERCK SHARPE & DOHME CORP. (US) 2012-10-23 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-7906517-B2 Trisubstituted amine compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-03-15 US disclosed
US-20100298288-A1 CETP INHIBITORS DERIVED FROM BENZOXAZOLE ARYLAMIDES MERCK & CO., INC (US) 2010-11-25 US disclosed
US-20100184719-A1 CETP INHIBITORS DERIVED FROM BENZOXAZOLE ARYLAMIDES MERCK SHARP & DOHME LLC 2010-07-22 US disclosed
US-20090029994-A1 Trisubstituted amine compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-01-29 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
US-20090023729-A1 Trisubstituted amine compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-01-22 US disclosed
WO-2008156715-A1 CETP INHIBITORS DERIVED FROM BENZOXAZOLE ARYLAMIDES MERCK & CO., INC. (US) 2008-12-24 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
WO-2007088999-A1 TRISUBSTITUTED AMINE COMPOUND 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 (6 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-20140221383-A1 CETP INHIBITORS CETP, APOB, MTTP POLB 1365/4885GAA 1732/4885GFER 4016/4885
US-20100184719-A1 CETP INHIBITORS DERIVED FROM BENZOXAZOLE ARYLAMIDES CETP, APOB, MTTP POLB 1879/4885GAA 622/4885GFER 3106/4885
US-20140135368-A1 SYNTHESIS OF INTERMEDIATES FOR PREPARING ANACETRAPIB AND DERIVATIVES THEREOF CYP2B6, CYP4B1, CIAPIN1 POLB 343/4885GAA 1587/4885GFER 1517/4885
US-20100298288-A1 CETP INHIBITORS DERIVED FROM BENZOXAZOLE ARYLAMIDES CETP, APOB, MTTP POLB 2114/4885GAA 417/4885GFER 2947/4885
US-20090029994-A1 Trisubstituted amine compound CETP, MTTP, APOB POLB 3818/4885GAA 1851/4885GFER 2183/4885
US-20090023729-A1 Trisubstituted amine compound CETP, MTTP, APOB POLB 3558/4885GAA 1887/4885GFER 2164/4885

“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.