SCHEMBL870567

SCHEMBL870567

C[C@@H](Nc1cc(N)nc(-c2ccc(CC(N)C(=O)O)cc2)n1)c1ccc2ccccc2c1

nearest known ligand 0.74

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TPH1 P17752 20/20 0.74

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
SCHEMBL870566 1.00 TPH1 (0.74) TPH1
SCHEMBL14969125 0.85 TPH1 (1.00) TPH1
SCHEMBL308510 0.85 TPH1 (1.00) TPH1
SCHEMBL308509 0.85 TPH1 (1.00) TPH1
SCHEMBL308216 0.85 TPH1 (1.00) TPH1
SCHEMBL3408238 0.85 TPH1 (1.00) TPH1
SCHEMBL307738 0.85 TPH1 (1.00) TPH1
SCHEMBL14969126 0.85 TPH1 (1.00) TPH1
SCHEMBL307739 0.85 TPH1 (1.00) TPH1
SCHEMBL1768161 0.83 TPH1 (0.62) TPH1

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090054308-A1 Methods and Compositions for Treating Pulmonary Hypertension and Related Diseases and Disorders TERSERA THERAPEUTICS LLC 2009-02-26 US claimed
US-20070191370-A1 Multicyclic amino acid derivatives and methods of their use TERSERA THERAPEUTICS LLC 2007-08-16 US 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
US-20130303763-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF NECROTIZING ENTEROCOLITIS LEXICON PHARMACEUTICALS, INC. 2013-11-14 US disclosed
WO-2013074889-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) 2013-05-23 WO disclosed
EP-1984344-B1 MULTICYCLIC AMINO ACID DERIVATIVES AND METHODS OF THEIR USE LEXICON PHARMACEUTICALS INC (US) 2012-09-26 EP 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-20120077831-A1 METHODS AND ASSAYS FOR THE TREATMENT OF IRRITABLE BOWEL SYNDROME LEXICON PHARMACEUTICALS, INC. 2012-03-29 US disclosed
EP-2386547-A1 Multicyclic amino acid derivatives and methods of their use Lexicon Pharmaceuticals, Inc. (US) 2011-11-16 EP disclosed
US-8039086-B2 Bonding material, process for producing the same, and honeycomb structure made with the same NGK INSULATORS, LTD. (JP) 2011-10-18 US disclosed
US-20110124667-A1 METHODS FOR THE TREATMENT OF IRRITABLE BOWEL SYNDROME LEXICON PHARMACEUTICALS, INC. 2011-05-26 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-20090054308-A1 Methods and Compositions for Treating Pulmonary Hypertension and Related Diseases and Disorders TPH1, PAH, TPH2 TPH1 1/4885
US-20120077831-A1 METHODS AND ASSAYS FOR THE TREATMENT OF IRRITABLE BOWEL SYNDROME SI, HNMT, ALPI TPH1 65/4885
US-20070191370-A1 Multicyclic amino acid derivatives and methods of their use AADAT, HNMT, TPH1 TPH1 3/4885
US-20110124667-A1 METHODS FOR THE TREATMENT OF IRRITABLE BOWEL SYNDROME SI, HNMT, SLC10A2 TPH1 85/4885
US-20140303197-A1 METHODS OF TREATING AND PREVENTING LEUKEMIA AND OTHER CANCERS OF THE BLOOD AND BONE TPH1, TPH2, HNMT TPH1 1/4885
US-20130303763-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF NECROTIZING ENTEROCOLITIS TPH1, TPH2, VIP TPH1 1/4885

“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.