SCHEMBL9967935

SCHEMBL9967935

CCOC(=O)[C@@H](N)Cc1ccc(C)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 2/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
AURKA O14965 1/20 0.43
NTRK1 P04629 1/20 0.43
TPH1 P17752 2/20 0.43
DPP4 P27487 3/20 0.43
PKM P14618 2/20 0.43
FAP Q12884 2/20 0.43
DPP8 Q6V1X1 2/20 0.43
DPP9 Q86TI2 2/20 0.43
DPP7 Q9UHL4 2/20 0.43
ALPI P09923 1/20 0.43
PTGS1 P23219 1/20 0.43
XIAP P98170 1/20 0.43
MMP8 P22894 1/20 0.43
LMNA P02545 3/20 0.42
ALDH1A1 P00352 2/20 0.42
MAPT P10636 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42

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
SCHEMBL21117856 1.00 SLC7A5 (0.44) SLC7A5MEN1KMT2AAURKANTRK1
SCHEMBL20543461 1.00 SLC7A5 (0.44) SLC7A5MEN1KMT2AAURKANTRK1
SCHEMBL7960935 0.94 SLC7A5 (0.48) SLC7A5TPH1PKMALPIPTGS1
SCHEMBL14139328 0.89 SLC7A5 (0.44) SLC7A5TPH1PKMALPIPTGS1
Diethanolamine SCHEMBL5151673 0.88 TPH1 (0.40) MEN1KMT2AAURKANTRK1TPH1
SCHEMBL1070138 0.88 LMNA (0.51) SLC7A5MEN1KMT2ATPH1DPP4
L-Tyrosine Ethylester SCHEMBL9327871 0.88 SLC7A5 (0.61) SLC7A5TPH1
L-Tyrosine Ethylester SCHEMBL242946 0.88 SLC7A5 (0.61) SLC7A5TPH1
L-Tyrosine Ethylester SCHEMBL242947 0.88 SLC7A5 (0.61) SLC7A5TPH1
SCHEMBL1064642 0.86 PPARG (0.51) SLC7A5MEN1KMT2ATPH1DPP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023025861-A1 NEW VASHS INHIBITORS, CONJUGATES THEREOF AND THEIR USES AS DRUGS OR AS RESEARCH TOOLS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2023-03-02 WO disclosed
US-20180148473-A1 PROCESS FOR PREPARATION OF NITROGEN MUSTARD DERIVATIVES ONCOPEPTIDES AB (SE) 2018-05-31 US disclosed
US-8629156-B2 Tryptophan hydroxylase inhibitors LEXICON PHARMACEUTICALS, INC. (US) 2014-01-14 US disclosed
US-20130274261-A1 METHODS FOR TREATING PULMONARY HYPERTENSION LEXICON PHARMACEUTICALS, INC. 2013-10-17 US disclosed
US-20130137635-A1 TRYPTOPHAN HYDROXYLASE INHIBITORS FOR THE TREATMENT OF METASTATIC BONE DISEASE LEXICON PHARMACEUTICALS, INC. (US) 2013-05-30 US disclosed
US-8410121-B2 Methods of treating pulmonary hypertension LEXICON PHARMACEUTICALS, INC. (US) 2013-04-02 US disclosed
US-20120157484-A1 TRYPTOPHAN HYDROXYLASE INHIBITORS TERSERA THERAPEUTICS LLC 2012-06-21 US disclosed
US-8093291-B2 Methods of using and compositions comprising tryptophan hydroxylase inhibitors LEXICON PHARMACEUTICALS, INC. (US) 2012-01-10 US disclosed
US-8063057-B2 Multicyclic amino acid derivatives and methods of their use LEXICON PHARMACEUTICALS, INC. (US) 2011-11-22 US disclosed
US-20110263601-A1 METHODS OF TREATING ULCERATIVE COLITIS LEXICON PHARMACEUTICALS, INC. 2011-10-27 US disclosed
US-20110112094-A1 Methods of Treating Pulmonary Hypertension TERSERA THERAPEUTICS LLC 2011-05-12 US disclosed
US-7875622-B2 administering to a patient A therapeutically effective amounts of an endothelin receptor antagonist e.g. ambrisentan, bosentan etc. and (S)-2-amino-3-(4-(2-amino-6-((R)-2,2,2-trifluoro-1-(3'-methoxybiphenyl-4-yl)ethoxy)pyrimidin-4-yl)phenyl)propanoic acid to treat pulmonary hypertension LEXICON PHARMACEUTICALS, INC. (US) 2011-01-25 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 (13 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 SLC7A5 1347/4885MEN1 2455/4885KMT2A 2842/4885
US-20130274261-A1 METHODS FOR TREATING PULMONARY HYPERTENSION TPH1, TPH2, PTGIS SLC7A5 1902/4885MEN1 3012/4885KMT2A 2648/4885
US-20100280054-A1 MULTICYCLIC AMINO ACID DERIVATIVES AND METHODS OF THEIR USE AADAT, HNMT, TPH1 SLC7A5 48/4885MEN1 1261/4885KMT2A 2950/4885
US-20120157484-A1 TRYPTOPHAN HYDROXYLASE INHIBITORS TPH1, TPH2, HNMT SLC7A5 799/4885MEN1 3578/4885KMT2A 2017/4885
US-20070191370-A1 Multicyclic amino acid derivatives and methods of their use AADAT, HNMT, TPH1 SLC7A5 48/4885MEN1 1261/4885KMT2A 2950/4885
US-20130137635-A1 TRYPTOPHAN HYDROXYLASE INHIBITORS FOR THE TREATMENT OF METASTATIC BONE DISEASE TPH1, TPH2, IDO1 SLC7A5 820/4885MEN1 631/4885KMT2A 333/4885
US-20180148473-A1 PROCESS FOR PREPARATION OF NITROGEN MUSTARD DERIVATIVES CBR3, GRHPR, CTH SLC7A5 335/4885MEN1 2971/4885KMT2A 2094/4885
US-20110112094-A1 Methods of Treating Pulmonary Hypertension TPH1, TPH2, PTGIS SLC7A5 1916/4885MEN1 2873/4885KMT2A 2734/4885
US-20110263601-A1 METHODS OF TREATING ULCERATIVE COLITIS TPH2, TPH1, HNMT SLC7A5 2776/4885MEN1 4840/4885KMT2A 2334/4885
US-20090005381-A1 METHODS OF TREATING SEROTONIN-MEDIATED DISEASES AND DISORDERS TPH1, TPH2, HNMT SLC7A5 1017/4885MEN1 1824/4885KMT2A 2154/4885
US-20100317664-A1 METHODS OF AFFECTING GASTROINTESTINAL TRANSIT AND GASTRIC EMPTYING, AND COMPOUNDS USEFUL THEREIN TPH1, TPH2, SLC10A2 SLC7A5 213/4885MEN1 2850/4885KMT2A 3229/4885
US-20090029993-A1 METHODS OF AFFECTING GASTROINTESTINAL TRANSIT AND GASTRIC EMPTYING, AND COMPOUNDS USEFUL THEREIN TPH1, TPH2, HNMT SLC7A5 225/4885MEN1 2801/4885KMT2A 2920/4885
US-20090005382-A1 METHODS OF USING AND COMPOSITIONS COMPRISING TRYPTOPHAN HYDROXYLASE INHIBITORS TPH1, TPH2, MAOB SLC7A5 1175/4885MEN1 3750/4885KMT2A 1717/4885

“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.