SCHEMBL869852

SCHEMBL869852

Nc1nc(NCc2ccc(-c3cccc(F)c3)cc2)nc(-c2ccc(C[C@H](N)C(=O)O)cc2)n1

nearest known ligand 0.81

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TPH1 P17752 19/20 0.81
GPR68 Q15743 1/20 0.54
TPH2 Q8IWU9 2/20 0.54

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
SCHEMBL869853 1.00 TPH1 (0.81) TPH1GPR68TPH2
SCHEMBL2733449 0.86 TPH1 (0.76) TPH1
SCHEMBL2733448 0.86 TPH1 (0.76) TPH1
SCHEMBL309002 0.84 TPH1 (1.00) TPH1
SCHEMBL307395 0.84 TPH1 (1.00) TPH1
SCHEMBL869851 0.80 TPH1 (0.56) TPH1TPH2
SCHEMBL20274801 0.76 TPH1 (0.70) TPH1
SCHEMBL1869972 0.76 TPH1 (0.60) TPH1
SCHEMBL1873079 0.76 TPH1 (0.83) TPH1
Benzoguanamine SCHEMBL21351508 0.74 TPH1 (0.71) 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 14 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
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
EP-2504008-A1 METHODS AND ASSAYS FOR THE TREATMENT OF IRRITABLE BOWEL SYNDROME Lexicon Pharmaceuticals, Inc. (US) 2012-10-03 EP 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
WO-2011063181-A1 METHODS AND ASSAYS FOR THE TREATMENT OF IRRITABLE BOWEL SYNDROME LEXICON PHARMACEUTICALS, INC. (US) 2011-05-26 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 (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 1/4885GPR68 1609/4885TPH2 3/4885
US-20120077831-A1 METHODS AND ASSAYS FOR THE TREATMENT OF IRRITABLE BOWEL SYNDROME SI, HNMT, ALPI TPH1 65/4885GPR68 660/4885TPH2 50/4885
US-20070191370-A1 Multicyclic amino acid derivatives and methods of their use AADAT, HNMT, TPH1 TPH1 3/4885GPR68 1400/4885TPH2 4/4885
US-20110124667-A1 METHODS FOR THE TREATMENT OF IRRITABLE BOWEL SYNDROME SI, HNMT, SLC10A2 TPH1 85/4885GPR68 617/4885TPH2 63/4885
US-20140303197-A1 METHODS OF TREATING AND PREVENTING LEUKEMIA AND OTHER CANCERS OF THE BLOOD AND BONE TPH1, TPH2, HNMT TPH1 1/4885GPR68 2758/4885TPH2 2/4885
US-20130303763-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF NECROTIZING ENTEROCOLITIS TPH1, TPH2, VIP TPH1 1/4885GPR68 1400/4885TPH2 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.