SCHEMBL1332732

SCHEMBL1332732

NC(Cc1ccc(-c2cc(OC(c3ccccc3-c3ccncc3)C(F)(F)F)ncn2)cc1)C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TPH1 P17752 20/20 0.60
TPH2 Q8IWU9 10/20 0.60
F2 P00734 1/20 0.44
ESR1 P03372 1/20 0.44
ADORA3 P0DMS8 1/20 0.44
DRD1 P21728 1/20 0.44
PTGS1 P23219 1/20 0.44
SLC6A2 P23975 1/20 0.44
AGTR1 P30556 1/20 0.44
SLC6A4 P31645 1/20 0.44
CCKAR P32238 1/20 0.44
PTGS2 P35354 1/20 0.44
DRD3 P35462 1/20 0.44
SLC6A3 Q01959 1/20 0.44

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
SCHEMBL613497 1.00 TPH1 (0.60) TPH1TPH2F2ESR1ADORA3
SCHEMBL613496 1.00 TPH1 (0.60) TPH1TPH2F2ESR1ADORA3
SCHEMBL869909 0.88 TPH1 (0.65) TPH1TPH2F2ESR1ADORA3
SCHEMBL611013 0.88 TPH1 (0.60) TPH1TPH2F2ESR1ADORA3
SCHEMBL611012 0.88 TPH1 (0.60) TPH1TPH2F2ESR1ADORA3
SCHEMBL611011 0.88 TPH1 (0.60) TPH1TPH2F2ESR1ADORA3
SCHEMBL610004 0.86 TPH1 (0.79) TPH1TPH2F2ESR1ADORA3
SCHEMBL610005 0.86 TPH1 (0.79) TPH1TPH2F2ESR1ADORA3
SCHEMBL610006 0.86 TPH1 (0.79) TPH1TPH2F2ESR1ADORA3
SCHEMBL307902 0.85 TPH1 (0.63) TPH1TPH2F2ESR1ADORA3

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 17 patents. 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-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-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
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
US-9150521-B2 Methods of preventing and treating diabetes by inhibiting serotonin synthesis THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2015-10-06 US disclosed
US-20140378489-A1 METHODS OF PREVENTING AND TREATING DIABETES BY INHIBITING SEROTONIN SYNTHESIS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK 2014-12-25 US disclosed
US-20130338176-A1 METHODS OF PREVENTING AND TREATING HYPERLIPIDEMIA OR ATHEROSCLEROSIS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2013-12-19 US disclosed
US-20130137635-A1 TRYPTOPHAN HYDROXYLASE INHIBITORS FOR THE TREATMENT OF METASTATIC BONE DISEASE LEXICON PHARMACEUTICALS, INC. (US) 2013-05-30 US disclosed
US-20120316171-A1 Tryptophan Hydroxylase Inhibitors for the Treatment of Cancer LEXICON PHARMACEUTICALS, INC. 2012-12-13 US disclosed
WO-2012058598-A1 METHODS OF PREVENTING AND TREATING HYPERLIPIDEMIA OR ATHEROSCLEROSIS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2012-05-03 WO disclosed
US-20110281899-A1 METHODS OF PREVENTING AND TREATING LOW BONE MASS DISEASES THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2011-11-17 US disclosed
US-20110124667-A1 METHODS FOR THE TREATMENT OF IRRITABLE BOWEL SYNDROME LEXICON PHARMACEUTICALS, INC. 2011-05-26 US 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-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
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 (8 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-20130338176-A1 METHODS OF PREVENTING AND TREATING HYPERLIPIDEMIA OR ATHEROSCLEROSIS TPH1, PON1, APOB TPH1 1/4885TPH2 4/4885F2 1013/4885
US-20140378489-A1 METHODS OF PREVENTING AND TREATING DIABETES BY INHIBITING SEROTONIN SYNTHESIS TPH1, TPH2, HTR1A TPH1 1/4885TPH2 2/4885F2 1883/4885
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 TPH1 1/4885TPH2 2/4885F2 2544/4885
US-20110281899-A1 METHODS OF PREVENTING AND TREATING LOW BONE MASS DISEASES TPH1, HTR1A, TPH2 TPH1 1/4885TPH2 3/4885F2 2484/4885
US-20120316171-A1 Tryptophan Hydroxylase Inhibitors for the Treatment of Cancer TPH1, TPH2, HNMT TPH1 1/4885TPH2 2/4885F2 4527/4885
US-20110124667-A1 METHODS FOR THE TREATMENT OF IRRITABLE BOWEL SYNDROME SI, HNMT, SLC10A2 TPH1 85/4885TPH2 63/4885F2 2265/4885
US-20080153852-A1 Tryptophan hydroxylase inhibitors; anticarcinogenic agents; gastrointestinal, cardiovascular, and respiratory system disorders TPH1, TPH2, MAOA TPH1 1/4885TPH2 2/4885F2 2138/4885
US-20130137635-A1 TRYPTOPHAN HYDROXYLASE INHIBITORS FOR THE TREATMENT OF METASTATIC BONE DISEASE TPH1, TPH2, IDO1 TPH1 1/4885TPH2 2/4885F2 4049/4885

“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.