SCHEMBL531699

SCHEMBL531699

NCC(O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.68
APEX1 P27695 4/20 0.42
TDP1 Q9NUW8 4/20 0.42
TAAR1 Q96RJ0 3/20 0.42
MAPT P10636 3/20 0.42
RECQL P46063 3/20 0.42
BLM P54132 3/20 0.42
KDM4E B2RXH2 3/20 0.42
HPGD P15428 2/20 0.42
ADRB2 P07550 2/20 0.42
ADRA2A P08913 2/20 0.42
ADRA2B P18089 2/20 0.42
ADRA2C P18825 2/20 0.42
ADRA1A P35348 2/20 0.42
CYP3A4 P08684 2/20 0.42
MEN1 O00255 1/20 0.42
LMNA P02545 1/20 0.42
ADRB1 P08588 1/20 0.42
ADORA3 P0DMS8 1/20 0.42
ADRB3 P13945 1/20 0.42

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
SCHEMBL27744161 0.84 PNMT (0.50) PNMTIDO1TDO2CES2TACR1
SCHEMBL25920947 0.83 PNMT (0.47) PNMTIDO1TDO2CES2TACR1
SCHEMBL7152130 0.81 PNMT (1.00) PNMTAPEX1TDP1TAAR1MAPT
SCHEMBL30753488 0.81 PNMT (1.00) PNMTAPEX1TDP1TAAR1MAPT
SCHEMBL166671 0.81 PNMT (1.00) PNMTAPEX1TDP1TAAR1MAPT
SCHEMBL264592 0.81 PNMT (0.46) PNMTCYP3A4TSHRIDO1TDO2
SCHEMBL6484095 0.81 PNMT (0.46) PNMTCYP3A4TSHRIDO1TDO2
SCHEMBL459815 0.81 PNMT (0.46) PNMTCYP3A4TSHRIDO1TDO2
Hydrochloric Acid SCHEMBL4780018 0.80 PNMT (0.97) PNMTAPEX1TDP1TAAR1MAPT
SCHEMBL7153429 0.79 PNMT (0.62) PNMTAPEX1TDP1TAAR1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160075724-A1 CETP Inhibitors MERCK SHARP & DOHME (US) 2016-03-17 US disclosed
CN-104557757-A CETP inhibitors MERCK & CO INC 2015-04-29 CN disclosed
CN-104447603-A CETP inhibitors MERCK SHARP & DOHME 2015-03-25 CN disclosed
CN-102304096-B CETP inhibitors MERCK SHARP & DOHME 2014-12-03 CN disclosed
CN-102311401-B CETP inhibitors MERCK & CO INC 2014-12-03 CN 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
EP-1765793-B1 ANACETRAPIB AND OTHER CETP INHIBITPRS MERCK SHARP & DOHME (US) 2012-09-26 EP disclosed
EP-2415759-A1 CETP inhibitors Merck Sharp & Dohme Corporation (US) 2012-02-08 EP disclosed
US-20100099716-A1 CETP INHIBITORS MERCK SHARP & DOHME LLC 2010-04-22 US disclosed
CN-101412711-A Carbamate derivatives and use thereof in medicine SHANGHAI HENGRUI PHARM CO LTD (CN) 2009-04-22 CN disclosed
WO-2009027785-A2 1, 3-OXAZOLE DERIVATIVES AS CETP INHIBITORS PFIZER PRODUCTS INC. (US) 2009-03-05 WO disclosed
US-20080119476-A1 Cetp Inhibitors ALI AMJAD 2008-05-22 US disclosed
EP-1765793-A1 CETP INHIBITORS Merck and Co., Inc. (US) 2007-03-28 EP disclosed
EP-1513814-A4 NOVEL PIPERIDINE COMPOUND TANABE SEIYAKU CO (JP) 2007-03-14 EP disclosed
US-20060040999-A1 CETP inhibitors MERCK SHARP & DOHME LLC 2006-02-23 US disclosed
WO-2006014357-A1 CETP INHIBITORS MERCK & CO., INC. (US) 2006-02-09 WO disclosed
WO-2006014413-A1 CETP INHIBITORS MERCK & CO., INC. (US) 2006-02-09 WO disclosed
EP-1513814-A1 NOVEL PIPERIDINE COMPOUND TANABE SEIYAKU CO., LTD. (JP) 2005-03-16 EP disclosed
WO-2003099787-A1 NOVEL PIPERIDINE COMPOUND TANABE SEIYAKU CO., LTD. (JP) 2003-12-04 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 (5 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 PNMT 4680/4885APEX1 4278/4885TDP1 1006/4885
US-20060040999-A1 CETP inhibitors CETP, APOB, MTTP PNMT 4680/4885APEX1 4278/4885TDP1 1006/4885
US-20080119476-A1 Cetp Inhibitors CETP, APOB, MTTP PNMT 4680/4885APEX1 4278/4885TDP1 1006/4885
US-20100099716-A1 CETP INHIBITORS CETP, APOB, MTTP PNMT 4680/4885APEX1 4278/4885TDP1 1006/4885
US-20160075724-A1 CETP Inhibitors CETP, APOB, MTTP PNMT 4680/4885APEX1 4278/4885TDP1 1006/4885

“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.