SCHEMBL308016

SCHEMBL308016

Nc1nc(OC(c2ccccc2)C(F)(F)F)nc(-c2ccc(C[C@H](N)C(=O)O)cc2)n1

nearest known ligand 0.83

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TPH1 P17752 20/20 0.83
TPH2 Q8IWU9 5/20 0.56

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
SCHEMBL308590 1.00 TPH1 (0.83) TPH1TPH2
SCHEMBL27805498 0.96 TPH1 (0.83) TPH1TPH2
SCHEMBL869740 0.96 TPH1 (0.83) TPH1TPH2
SCHEMBL9967951 0.88 TPH1 (0.71) TPH1TPH2
SCHEMBL307138 0.88 TPH1 (0.71) TPH1TPH2
SCHEMBL3811509 0.88 TPH1 (0.71) TPH1TPH2
SCHEMBL20274836 0.88 TPH1 (0.71) TPH1TPH2
SCHEMBL307137 0.88 TPH1 (0.71) TPH1TPH2
SCHEMBL869738 0.88 TPH1 (0.73) TPH1TPH2
SCHEMBL869857 0.83 TPH1 (0.66) TPH1TPH2

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 106 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
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
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-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-20150111908-A1 METHODS OF DIAGNOSING, PREVENTING, AND TREATING BONE MASS DISEASES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-04-23 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-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-2009002964-A1 METHODS OF TREATING SEROTONIN-MEDIATED DISEASES AND DISORDERS LEXICON PHARMACEUTICALS, INC. (US) 2008-12-31 WO disclosed
WO-2009002964-A1 METHODS OF TREATING SEROTONIN-MEDIATED DISEASES AND DISORDERS LEXICON PHARMACEUTICALS, INC. (US) 2008-12-31 WO disclosed
WO-2009002970-A1 COMPOSITIONS COMPRISING TRYPTOPHAN HYDROXYLASE INHIBITORS LEXICON PHARMACEUTICALS, INC. (US) 2008-12-31 WO disclosed
WO-2009002970-A1 COMPOSITIONS COMPRISING TRYPTOPHAN HYDROXYLASE INHIBITORS LEXICON PHARMACEUTICALS, INC. (US) 2008-12-31 WO disclosed
US-20070191370-A1 Multicyclic amino acid derivatives and methods of their use TERSERA THERAPEUTICS LLC 2007-08-16 US disclosed
US-20070191370-A1 Multicyclic amino acid derivatives and methods of their use TERSERA THERAPEUTICS LLC 2007-08-16 US disclosed
US-20070191370-A1 Multicyclic amino acid derivatives and methods of their use TERSERA THERAPEUTICS LLC 2007-08-16 US disclosed
WO-2007089335-A2 MULTICYCLIC AMINO ACID DERIVATIVES AND METHODS OF THEIR USE LEXICON PHARMACEUTICAL INC. (US) 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 (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-20150111908-A1 METHODS OF DIAGNOSING, PREVENTING, AND TREATING BONE MASS DISEASES TPH1, HTR1A, TPH2 TPH1 1/4885TPH2 3/4885
US-20090054308-A1 Methods and Compositions for Treating Pulmonary Hypertension and Related Diseases and Disorders TPH1, PAH, TPH2 TPH1 1/4885TPH2 3/4885
US-20140378489-A1 METHODS OF PREVENTING AND TREATING DIABETES BY INHIBITING SEROTONIN SYNTHESIS TPH1, TPH2, HTR1A TPH1 1/4885TPH2 2/4885
US-20070191370-A1 Multicyclic amino acid derivatives and methods of their use AADAT, HNMT, TPH1 TPH1 3/4885TPH2 4/4885
US-20140303197-A1 METHODS OF TREATING AND PREVENTING LEUKEMIA AND OTHER CANCERS OF THE BLOOD AND BONE TPH1, TPH2, HNMT TPH1 1/4885TPH2 2/4885

“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.