SCHEMBL308158

SCHEMBL308158

COc1ccc(CNc2cncc(-c3ccc(CC(N)C(=O)O)cc3)c2)cc1OC1CCCC1

nearest known ligand 0.69

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TPH1 P17752 5/20 0.69
PDE4A P27815 14/20 0.46
PDE4B Q07343 3/20 0.45
PDE4C Q08493 3/20 0.45
PDE4D Q08499 3/20 0.45

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
SCHEMBL308157 1.00 TPH1 (0.69) TPH1PDE4APDE4BPDE4CPDE4D
SCHEMBL308021 0.90 TPH1 (0.74) TPH1PDE4APDE4BPDE4CPDE4D
SCHEMBL308020 0.90 TPH1 (0.74) TPH1PDE4APDE4BPDE4CPDE4D
SCHEMBL307765 0.85 TPH1 (0.77) TPH1PDE4APDE4BPDE4CPDE4D
SCHEMBL307766 0.85 TPH1 (0.77) TPH1PDE4APDE4BPDE4CPDE4D
SCHEMBL15315374 0.84 TPH1 (0.65) TPH1PDE4APDE4BPDE4CPDE4D
SCHEMBL307424 0.83 TPH1 (0.81) TPH1PDE4APDE4BPDE4CPDE4D
SCHEMBL307423 0.83 TPH1 (0.81) TPH1PDE4APDE4BPDE4CPDE4D
SCHEMBL309142 0.81 TPH1 (0.78) TPH1PDE4APDE4BPDE4CPDE4D
SCHEMBL308500 0.81 TPH1 (0.78) TPH1PDE4APDE4BPDE4CPDE4D

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 69 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
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
CN-103265495-B Multicyclic amino acid derivatives and using method thereof 莱西肯医药有限公司 2016-11-16 CN 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
CN-101351451-A Polycyclic amino acid derivatives and methods of use thereof LEXICON GENETICS INC (US) 2009-01-21 CN disclosed
WO-2009009561-A1 METHODS AND COMPOSITIONS FOR TREATING PULMONARY HYPERTENSION AND RELATED DISEASES AND DISORDERS LEXICON PHARMACEUTICALS, INC. (US) 2009-01-15 WO disclosed
US-20090005382-A1 METHODS OF USING AND COMPOSITIONS COMPRISING TRYPTOPHAN HYDROXYLASE INHIBITORS TERSERA THERAPEUTICS LLC 2009-01-01 US disclosed
US-20090005381-A1 METHODS OF TREATING SEROTONIN-MEDIATED DISEASES AND DISORDERS LEXICON PHARMACEUTICALS, INC. 2009-01-01 US 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
US-20070191370-A1 Multicyclic amino acid derivatives and methods of their use TERSERA THERAPEUTICS LLC 2007-08-16 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-20150111908-A1 METHODS OF DIAGNOSING, PREVENTING, AND TREATING BONE MASS DISEASES TPH1, HTR1A, TPH2 TPH1 1/4885PDE4A 738/4885PDE4B 1165/4885
US-20090054308-A1 Methods and Compositions for Treating Pulmonary Hypertension and Related Diseases and Disorders TPH1, PAH, TPH2 TPH1 1/4885PDE4A 470/4885PDE4B 588/4885
US-20140378489-A1 METHODS OF PREVENTING AND TREATING DIABETES BY INHIBITING SEROTONIN SYNTHESIS TPH1, TPH2, HTR1A TPH1 1/4885PDE4A 839/4885PDE4B 1445/4885
US-20070191370-A1 Multicyclic amino acid derivatives and methods of their use AADAT, HNMT, TPH1 TPH1 3/4885PDE4A 2858/4885PDE4B 3080/4885
US-20090005381-A1 METHODS OF TREATING SEROTONIN-MEDIATED DISEASES AND DISORDERS TPH1, TPH2, HNMT TPH1 1/4885PDE4A 1082/4885PDE4B 1385/4885
US-20090005382-A1 METHODS OF USING AND COMPOSITIONS COMPRISING TRYPTOPHAN HYDROXYLASE INHIBITORS TPH1, TPH2, MAOB TPH1 1/4885PDE4A 782/4885PDE4B 933/4885

“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.