SCHEMBL307774

SCHEMBL307774

Cc1cccc(-c2ccc3[nH]cc(CC(N)C(=O)O)c3c2)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ICMT O60725 5/20 0.67
KMT2A Q03164 3/20 0.62
BLM P54132 3/20 0.62
KDM4E B2RXH2 2/20 0.62
LMNA P02545 2/20 0.62
MAPT P10636 2/20 0.62
TSHR P16473 2/20 0.62
PMP22 Q01453 2/20 0.62
NPSR1 Q6W5P4 2/20 0.62
ALDH1A1 P00352 1/20 0.62
CYP3A4 P08684 1/20 0.62
HTR1A P08908 1/20 0.62
ADORA3 P0DMS8 1/20 0.62
ALOX15 P16050 1/20 0.62
NFKB1 P19838 1/20 0.62
HTR2A P28223 1/20 0.62
HTR2C P28335 1/20 0.62
SLC6A4 P31645 1/20 0.62
HTR7 P34969 1/20 0.62
HTR2B P41595 1/20 0.62

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
SCHEMBL869891 0.89 KMT2A (0.67) ICMTKMT2ABLMKDM4ELMNA
SCHEMBL18029018 0.89 KMT2A (0.71) ICMTKMT2ABLMKDM4ELMNA
SCHEMBL19871233 0.89 KMT2A (0.71) ICMTKMT2ABLMKDM4ELMNA
SCHEMBL23791882 0.87 KMT2A (0.64) ICMTKMT2ABLMKDM4ELMNA
SCHEMBL41267 0.86 KMT2A (0.73) ICMTKMT2ABLMKDM4ELMNA
SCHEMBL30406433 0.86 KMT2A (0.73) ICMTKMT2ABLMKDM4ELMNA
SCHEMBL7614399 0.86 KMT2A (0.73) ICMTKMT2ABLMKDM4ELMNA
SCHEMBL41266 0.86 KMT2A (0.73) ICMTKMT2ABLMKDM4ELMNA
SCHEMBL29527694 0.86 KMT2A (0.73) ICMTKMT2ABLMKDM4ELMNA
SCHEMBL18029004 0.86 KMT2A (0.73) ICMTKMT2ABLMKDM4ELMNA

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 48 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
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
US-8759364-B2 Methods of treating bone mass diseases THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2014-06-24 US disclosed
US-20100317664-A1 METHODS OF AFFECTING GASTROINTESTINAL TRANSIT AND GASTRIC EMPTYING, AND COMPOUNDS USEFUL THEREIN LEXICON PHARMACEUTICALS, INC. 2010-12-16 US disclosed
US-20100280054-A1 MULTICYCLIC AMINO ACID DERIVATIVES AND METHODS OF THEIR USE TERSERA THERAPEUTICS LLC 2010-11-04 US disclosed
US-7723345-B2 Multicyclic amino acid derivatives and methods of their use LEXICON PHARMACEUTICALS, INC. (US) 2010-05-25 US disclosed
US-20090054308-A1 Methods and Compositions for Treating Pulmonary Hypertension and Related Diseases and Disorders TERSERA THERAPEUTICS LLC 2009-02-26 US disclosed
US-20090029993-A1 METHODS OF AFFECTING GASTROINTESTINAL TRANSIT AND GASTRIC EMPTYING, AND COMPOUNDS USEFUL THEREIN LEXICON PHARMACEUTICALS, INC. 2009-01-29 US 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
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 (10 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 ICMT 1727/4885KMT2A 1208/4885BLM 4464/4885
US-20090054308-A1 Methods and Compositions for Treating Pulmonary Hypertension and Related Diseases and Disorders TPH1, PAH, TPH2 ICMT 2736/4885KMT2A 2842/4885BLM 1097/4885
US-20100280054-A1 MULTICYCLIC AMINO ACID DERIVATIVES AND METHODS OF THEIR USE AADAT, HNMT, TPH1 ICMT 942/4885KMT2A 2950/4885BLM 1613/4885
US-20140378489-A1 METHODS OF PREVENTING AND TREATING DIABETES BY INHIBITING SEROTONIN SYNTHESIS TPH1, TPH2, HTR1A ICMT 820/4885KMT2A 1349/4885BLM 4592/4885
US-20070191370-A1 Multicyclic amino acid derivatives and methods of their use AADAT, HNMT, TPH1 ICMT 942/4885KMT2A 2950/4885BLM 1613/4885
US-20140303197-A1 METHODS OF TREATING AND PREVENTING LEUKEMIA AND OTHER CANCERS OF THE BLOOD AND BONE TPH1, TPH2, HNMT ICMT 3591/4885KMT2A 474/4885BLM 3494/4885
US-20090005381-A1 METHODS OF TREATING SEROTONIN-MEDIATED DISEASES AND DISORDERS TPH1, TPH2, HNMT ICMT 2573/4885KMT2A 2154/4885BLM 1784/4885
US-20100317664-A1 METHODS OF AFFECTING GASTROINTESTINAL TRANSIT AND GASTRIC EMPTYING, AND COMPOUNDS USEFUL THEREIN TPH1, TPH2, SLC10A2 ICMT 2508/4885KMT2A 3229/4885BLM 2564/4885
US-20090029993-A1 METHODS OF AFFECTING GASTROINTESTINAL TRANSIT AND GASTRIC EMPTYING, AND COMPOUNDS USEFUL THEREIN TPH1, TPH2, HNMT ICMT 2143/4885KMT2A 2920/4885BLM 2818/4885
US-20090005382-A1 METHODS OF USING AND COMPOSITIONS COMPRISING TRYPTOPHAN HYDROXYLASE INHIBITORS TPH1, TPH2, MAOB ICMT 2910/4885KMT2A 1717/4885BLM 1670/4885

“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.