SCHEMBL304645

SCHEMBL304645

CC(Cl)[C@H](Cl)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.52
TAAR1 Q96RJ0 4/20 0.42
ADRA2A P08913 1/20 0.41
ADRA2C P18825 1/20 0.41
CYP2D6 P10635 1/20 0.41
LMNA P02545 1/20 0.41
HIF1A Q16665 1/20 0.41
KDM4E B2RXH2 1/20 0.41
NOS2 P35228 1/20 0.40
ALDH1A1 P00352 1/20 0.39
DPP4 P27487 2/20 0.39
F2 P00734 1/20 0.39
TRPA1 O75762 1/20 0.39
MIF P14174 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
SCHEMBL306112 1.00 TSHR (0.52) TSHRTAAR1ADRA2AADRA2CCYP2D6
SCHEMBL498588 1.00 TSHR (0.52) TSHRTAAR1ADRA2AADRA2CCYP2D6
SCHEMBL893216 0.83 TSHR (0.52) TSHRTAAR1ADRA2AADRA2CCYP2D6
SCHEMBL6283476 0.82 TSHR (0.65) TSHRTAAR1CYP2D6LMNADPP4
SCHEMBL9750479 0.81 TSHR (0.50) TSHRTAAR1ADRA2AADRA2CCYP2D6
SCHEMBL3280292 0.79 ADRA2A (0.54) TSHRTAAR1ADRA2AADRA2CCYP2D6
SCHEMBL4778223 0.79 LMNA (0.48) TSHRADRA2AADRA2CCYP2D6LMNA
SCHEMBL11887151 0.79 ADRA2A (0.54) TSHRTAAR1ADRA2AADRA2CCYP2D6
Acetone SCHEMBL28777513 0.79 CYP2D6 (0.43) TSHRCYP2D6LMNAALDH1A1
SCHEMBL2240790 0.78 TSHR (0.52) TSHRTAAR1ADRA2AADRA2CCYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3808740-A1 ORAL DOSAGE FORMS COMPRISING 4-PHENYL-6-(2,2,2-TRIFLUORO-1-PHENYLETHOXY)PYRIMIDINE-BASED COMPOUNDS AND METHODS OF THEIR USE TerSera Therapeutics LLC (US) 2021-04-21 EP disclosed
EP-3176159-B1 4-PHENYL-6-(2,2,2-TRIFLUORO-1-PHENYLETHOXY)PYRIMIDINE-BASED COMPOUNDS AND METHODS OF THEIR USE LEXICON PHARMACEUTICALS INC (US) 2020-10-21 EP disclosed
EP-3318260-B1 METHODS OF PREPARING 4-PHENYL-6-(2,2,2- TRIFLUORO-1-PHENYLETHOXY) PYRIMIDINE-BASED COMPOUNDS LEXICON PHARMACEUTICALS INC (US) 2020-09-23 EP disclosed
EP-3318260-A1 METHODS OF PREPARING 4-PHENYL-6-(2,2,2- TRIFLUORO-1-PHENYLETHOXY) PYRIMIDINE-BASED COMPOUNDS Lexicon Pharmaceuticals, Inc. (US) 2018-05-09 EP disclosed
EP-2091940-B3 4-PHENYL-6-(2,2,2-TRIFLUORO-1-PHENYLETHOXY)PYRIMIDINE-BASED COMPOUNDS AND METHODS OF THEIR USE LEXICON PHARMACEUTICALS INC (US) 2017-12-06 EP disclosed
EP-2187887-B1 METHODS OF PREPARING 4-PHENYL-6-(2,2,2-TRIFLUORO-1-PHENYLETHOXY)PYRIMIDINE-BASED COMPOUNDS LEXICON PHARMACEUTICALS INC (US) 2017-11-15 EP disclosed
EP-3176159-A1 4-PHENYL-6-(2,2,2-TRIFLUORO-1-PHENYLETHOXY)PYRIMIDINE-BASED COMPOUNDS AND METHODS OF THEIR USE Lexicon Pharmaceuticals, Inc. (US) 2017-06-07 EP disclosed
EP-2589600-B1 4-phenyl-6-(2,2,2-trifluoro-1-phenylethoxy)pyrimidine-based compounds and methods of their use LEXICON PHARMACEUTICALS INC (US) 2017-02-15 EP disclosed
CN-104045626-B Compounds based on 4-phenyl-6-(2,2,2-trifluoro-1-phenyl ethoxy) pyrimidine and application method thereof 莱西肯医药有限公司 2017-01-11 CN disclosed
EP-2318380-B1 METHODS OF PREPARING IMIDAZOLE-BASED BICYCLIC COMPOUNDS LEXICON PHARMACEUTICALS INC (US) 2016-08-24 EP disclosed
US-20100240906-A1 1-PHENYL-1H-PYRAZOLE-BASED COMPOUNDS TERSERA THERAPEUTICS LLC 2010-09-23 US disclosed
EP-2187887-A1 METHODS OF PREPARING 4-PHENYL-6-(2,2,2-TRIFLUORO-1-PHENYLETHOXY)PYRIMIDINE-BASED COMPOUNDS Lexicon Pharmaceuticals, Inc. (US) 2010-05-26 EP disclosed
US-7709493-B2 Tryptophan hydroxylase inhibitors; anticarcinogenic agents; gastrointestinal, cardiovascular, and respiratory system disorders; (S)-2-amino-3-[4-(2-amino-6-{R-1-[4-chloro-2-(3-methyl-pyrazol-1-yl)-phenyl]-2,2,2-trifluoro-ethoxy}-pyrimidin-4-yl)-phenyl]-propionic acid ethyl ester LEXICON PHARMACEUTICALS, INC. (US) 2010-05-04 US disclosed
US-20090318705-A1 METHODS OF PREPARING IMIDAZOLE-BASED BICYCLIC COMPOUNDS OXFORD FINANCE LLC, AS COLLATERAL AGENT 2009-12-24 US disclosed
US-20090286817-A1 Tryptophan hydroxylase inhibitors; anticarcinogenic agents; gastrointestinal, cardiovascular, and respiratory system disorders; (S)-2-amino-3-[4-(2-amino-6-{R-1-[4-chloro-2-(3-methyl-pyrazol-1-yl)-phenyl]-2,2,2-trifluoro-ethoxy}-pyrimidin-4-yl)-phenyl]-propionic acid ethyl ester TERSERA THERAPEUTICS LLC 2009-11-19 US disclosed
US-7553840-B2 Tryptophan hydroxylase inhibitors; anticarcinogenic agents; gastrointestinal, cardiovascular, and respiratory system disorders LEXICON PHARMACEUTICALS, INC. (US) 2009-06-30 US disclosed
WO-2009029499-A1 METHODS OF PREPARING 4-PHENYL-6-(2,2,2-TRIFLUORO-1-PHENYLETHOXY)PYRIMIDINE-BASED COMPOUNDS LEXICON PHARMACEUTICALS, INC. (US) 2009-03-05 WO disclosed
US-20090062540-A1 METHODS OF PREPARING 4-PHENYL-6-(2,2,2-TRIFLUORO-1-PHENYLETHOXY)PYRIMIDINE-BASED COMPOUNDS LEXICON PHARMACEUTICALS, INC. 2009-03-05 US disclosed
US-20080262241-A1 Methods of Preparing Imidazole-Based Compounds OXFORD FINANCE LLC, AS COLLATERAL AGENT 2008-10-23 US disclosed
US-20080153852-A1 Tryptophan hydroxylase inhibitors; anticarcinogenic agents; gastrointestinal, cardiovascular, and respiratory system disorders TERSERA THERAPEUTICS LLC 2008-06-26 US 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-20090318705-A1 METHODS OF PREPARING IMIDAZOLE-BASED BICYCLIC COMPOUNDS PAICS, TOP2B, CCNI TSHR 4010/4885TAAR1 3215/4885ADRA2A 2107/4885
US-20090286817-A1 Tryptophan hydroxylase inhibitors; anticarcinogenic agents; gastrointestinal, cardiovascular, and respiratory system disorders; (S)-2-amino-3-[4-(2-amino-6-{R-1-[4-chloro-2-(3-methyl-pyrazol-1-yl)-phenyl]-2,2,2-trifluoro-ethoxy}-pyrimidin-4-yl)-phenyl]-propionic acid ethyl ester TPH1, TPH2, PAH TSHR 962/4885TAAR1 448/4885ADRA2A 126/4885
US-20080262241-A1 Methods of Preparing Imidazole-Based Compounds PAICS, TOP2B, PPIP5K2 TSHR 3848/4885TAAR1 2985/4885ADRA2A 2026/4885
US-20080153852-A1 Tryptophan hydroxylase inhibitors; anticarcinogenic agents; gastrointestinal, cardiovascular, and respiratory system disorders TPH1, TPH2, MAOA TSHR 1054/4885TAAR1 354/4885ADRA2A 172/4885
US-20100240906-A1 1-PHENYL-1H-PYRAZOLE-BASED COMPOUNDS CYP2E1, CYP1B1, CYP11B1 TSHR 3722/4885TAAR1 3269/4885ADRA2A 1461/4885
US-20090062540-A1 METHODS OF PREPARING 4-PHENYL-6-(2,2,2-TRIFLUORO-1-PHENYLETHOXY)PYRIMIDINE-BASED COMPOUNDS DPYD, TYMP, NUDT1 TSHR 3411/4885TAAR1 2998/4885ADRA2A 1975/4885

“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.