SCHEMBL869801

SCHEMBL869801

N[C@@H](Cc1ccc(-c2cc(OC(c3ccc(F)cc3OC3CCCC3)C(F)(F)F)ncn2)cc1)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TPH1 P17752 20/20 0.48
TPH2 Q8IWU9 10/20 0.48
F2 P00734 1/20 0.43
ESR1 P03372 1/20 0.43
ADORA3 P0DMS8 1/20 0.43
DRD1 P21728 1/20 0.43
PTGS1 P23219 1/20 0.43
SLC6A2 P23975 1/20 0.43
AGTR1 P30556 1/20 0.43
SLC6A4 P31645 1/20 0.43
CCKAR P32238 1/20 0.43
PTGS2 P35354 1/20 0.43
DRD3 P35462 1/20 0.43
SLC6A3 Q01959 1/20 0.43

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
SCHEMBL27747384 1.00 TPH1 (0.48) TPH1TPH2F2ESR1ADORA3
SCHEMBL870506 0.99 TPH1 (0.48) TPH1TPH2F2ESR1ADORA3
SCHEMBL27876232 0.99 TPH1 (0.48) TPH1TPH2F2ESR1ADORA3
SCHEMBL27726676 0.92 TPH1 (0.46) TPH1TPH2F2ESR1ADORA3
SCHEMBL870039 0.92 TPH1 (0.51) TPH1TPH2F2ESR1ADORA3
SCHEMBL27892947 0.92 TPH1 (0.45) TPH1TPH2F2ESR1ADORA3
SCHEMBL869680 0.91 TPH1 (0.50) TPH1TPH2F2ESR1ADORA3
SCHEMBL869064 0.90 TPH1 (0.51) TPH1TPH2F2ESR1ADORA3
SCHEMBL27726672 0.90 TPH1 (0.51) TPH1TPH2F2ESR1ADORA3
SCHEMBL27726665 0.88 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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2009522265-A 2009-06-11 JP claimed
US-20090054308-A1 Methods and Compositions for Treating Pulmonary Hypertension and Related Diseases and Disorders TERSERA THERAPEUTICS LLC 2009-02-26 US claimed
CN-101351451-A Polycyclic amino acid derivatives and methods of use thereof LEXICON GENETICS INC (US) 2009-01-21 CN claimed
EP-1984344-A2 MULTICYCLIC AMINO ACID DERIVATIVES AND METHODS OF THEIR USE Lexicon Pharmaceuticals, Inc. (US) 2008-10-29 EP claimed
US-20070191370-A1 Multicyclic amino acid derivatives and methods of their use TERSERA THERAPEUTICS LLC 2007-08-16 US claimed
WO-2007089335-A2 MULTICYCLIC AMINO ACID DERIVATIVES AND METHODS OF THEIR USE LEXICON PHARMACEUTICAL INC. (US) 2007-08-09 WO claimed
EP-2386547-B1 Multicyclic amino acid derivatives and methods of their use LEXICON PHARMACEUTICALS INC (US) 2018-06-20 EP disclosed
US-9717727-B2 Methods of treating and preventing leukemia and other cancers of the blood and bone THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2017-08-01 US disclosed
US-20140303197-A1 METHODS OF TREATING AND PREVENTING LEUKEMIA AND OTHER CANCERS OF THE BLOOD AND BONE THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2014-10-09 US disclosed
WO-2014082034-A1 METHODS FOR TREATING IRRITABLE BOWEL SYNDROME LEXICON PHARMACEUTICALS, INC. (US) 2014-05-30 WO disclosed
US-20130303763-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF NECROTIZING ENTEROCOLITIS LEXICON PHARMACEUTICALS, INC. 2013-11-14 US disclosed
WO-2013148978-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF NECROTIZING ENTEROCOLITIS LEXICON PHARMACEUTICALS, INC. (US) 2013-10-03 WO disclosed
CN-101351451-B Polycyclic amino acid derivatives and methods of use thereof LEXICON PHARMACEUTICALS INC 2013-02-20 CN disclosed
US-20110124667-A1 METHODS FOR THE TREATMENT OF IRRITABLE BOWEL SYNDROME LEXICON PHARMACEUTICALS, INC. 2011-05-26 US disclosed
WO-2011063181-A1 METHODS AND ASSAYS FOR THE TREATMENT OF IRRITABLE BOWEL SYNDROME LEXICON PHARMACEUTICALS, INC. (US) 2011-05-26 WO disclosed
CN-101969952-A Compositions comprising tryptophan hydroxylase inhibitors LEXICON PHARMACEUTICALS INC 2011-02-09 CN disclosed
CN-101815534-A methods and compositions for treating pulmonary hypertension and related diseases and disorders LEXICON PHARMACEUTICALS INC 2010-08-25 CN disclosed
CN-101801385-A Methods of affecting gastrointestinal transit and gastric emptying, and compounds useful therein LEXICON PHARMACEUTICALS INC 2010-08-11 CN disclosed
CN-101784269-A methods of treating serotonin-mediated diseases and disorders LEXICON PHARMACEUTICALS INC 2010-07-21 CN disclosed
CN-101351451-A Polycyclic amino acid derivatives and methods of use thereof LEXICON GENETICS INC (US) 2009-01-21 CN 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-20090054308-A1 Methods and Compositions for Treating Pulmonary Hypertension and Related Diseases and Disorders TPH1, PAH, TPH2 TPH1 1/4885TPH2 3/4885F2 985/4885
US-20070191370-A1 Multicyclic amino acid derivatives and methods of their use AADAT, HNMT, TPH1 TPH1 3/4885TPH2 4/4885F2 808/4885
US-20110124667-A1 METHODS FOR THE TREATMENT OF IRRITABLE BOWEL SYNDROME SI, HNMT, SLC10A2 TPH1 85/4885TPH2 63/4885F2 2265/4885
US-20140303197-A1 METHODS OF TREATING AND PREVENTING LEUKEMIA AND OTHER CANCERS OF THE BLOOD AND BONE TPH1, TPH2, HNMT TPH1 1/4885TPH2 2/4885F2 3758/4885
US-20130303763-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF NECROTIZING ENTEROCOLITIS TPH1, TPH2, VIP TPH1 1/4885TPH2 2/4885F2 1149/4885

“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.