SCHEMBL830179

SCHEMBL830179

CCOC(=O)c1c[nH]c2ccc(C)cc12

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 2/20 0.73
RAB9A P51151 2/20 0.64
LMNA P02545 1/20 0.64
GABRA1 P14867 3/20 0.63
GABRB2 P47870 3/20 0.63
GABRB1 P18505 2/20 0.61
GABRA3 P34903 2/20 0.61
ALDH1A1 P00352 4/20 0.60
HSD17B10 Q99714 2/20 0.56
TP53 P04637 2/20 0.56
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
HPGD P15428 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
KDM4E B2RXH2 2/20 0.56
HTT P42858 1/20 0.55
NPC1 O15118 1/20 0.55
GAA P10253 1/20 0.55
MAPT P10636 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55

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
SCHEMBL7284420 0.90 GABRA1 (0.78) NR4A2GABRA1GABRB2GABRB1GABRA3
SCHEMBL30417619 0.90 GABRA1 (0.78) NR4A2GABRA1GABRB2GABRB1GABRA3
SCHEMBL2050904 0.87 GABRA1 (0.61) NR4A2LMNAGABRA1GABRB2GABRB1
SCHEMBL6521138 0.85 GABRA1 (0.60) NR4A2RAB9ALMNAGABRA1GABRB2
SCHEMBL5739049 0.85 GABRA1 (0.82) NR4A2GABRA1GABRB2GABRB1GABRA3
SCHEMBL5313637 0.85 ALDH1A1 (0.61) NR4A2GABRA1GABRB2GABRB1GABRA3
SCHEMBL30175047 0.85 ALDH1A1 (0.61) NR4A2GABRA1GABRB2GABRB1GABRA3
SCHEMBL404920 0.85 LMNA (0.61) NR4A2RAB9ALMNAGABRA1GABRB2
SCHEMBL5309810 0.85 NR4A2 (0.72) NR4A2GABRA1GABRB2GABRB1GABRA3
SCHEMBL4240354 0.84 NR4A2 (1.00) NR4A2RAB9ALMNAALDH1A1HSD17B10

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10407443-B2 5-HT3 receptor antagonists TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-09-10 US disclosed
US-20180327421-A1 5-HT3 RECEPTOR ANTAGONISTS ENVOY THERAPEUTICS, INC. 2018-11-15 US disclosed
US-10125145-B2 5-HT3 receptor antagonists TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-11-13 US disclosed
EP-3312169-A1 5-HT3 RECEPTOR ANTAGONISTS Takeda Pharmaceutical Company Limited (JP) 2018-04-25 EP disclosed
US-20180072758-A1 5HT3 RECEPTOR ANTAGONISTS TAKEDA CALIFORNIA, INC. 2018-03-15 US disclosed
US-20170260201-A1 5-HT3 RECEPTOR ANTAGONISTS ENVOY THERAPEUTICS, INC. 2017-09-14 US disclosed
US-9695195-B2 5-HT3 receptor antagonists TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-07-04 US disclosed
US-9670229-B2 5-HT3 receptor antagonists TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-06-06 US disclosed
US-20160251373-A1 5-HT3 RECEPTOR ANTAGONISTS ENVOY THERAPEUTICS, INC. 2016-09-01 US disclosed
US-20160185801-A1 5-HT3 RECEPTOR ANTAGONISTS TAKEDA PHARMACEUTICAL (JP) 2016-06-30 US disclosed
WO-2014014962-A1 5HT3 RECEPTOR ANTAGONISTS ENVOY THERAPEUTICS, INC. (US) 2014-01-23 WO disclosed
WO-2014014951-A1 5-HT3 RECEPTOR ANTAGONISTS ENVOY THERAPEUTICS, INC. (US) 2014-01-23 WO disclosed
US-20140024644-A1 5-HT3 RECEPTOR ANTAGONISTS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-01-23 US disclosed
CN-103130802-A Tetrahydro-gamma-carboline derivative synthesis method UNIV TIANJIN 2013-06-05 CN disclosed
EP-2197842-B1 2, 3-SUBSTITUTED INDOLE DERIVATIVES FOR TREATING VIRAL INFECTIONS SCHERING CORP (US) 2012-05-23 EP disclosed
US-8143305-B2 2,3-substituted indole derivatives for treating viral infections SCHERING CORPORATION (US) 2012-03-27 US disclosed
US-20110104109-A1 TETRACYCLIC INDOLE DERIVATIVES AND THEIR USE FOR TREATING OR PREVENTING VIRAL INFECTIONS MERCK SHARP & DOHME CORP. 2011-05-05 US disclosed
US-20110033417-A1 2,3-SUBSTITUTED INDOLE DERIVATIVES FOR TREATING VIRAL INFECTIONS MERCK SHARP & DOHME CORP. 2011-02-10 US disclosed
EP-2197842-A1 2, 3-SUBSTITUTED INDOLE DERIVATIVES FOR TREATING VIRAL INFECTIONS SCHERING CORPORATION (US) 2010-06-23 EP disclosed
WO-2009032116-A1 2, 3-SUBSTITUTED INDOLE DERIVATIVES FOR TREATING VIRAL INFECTIONS SCHERING CORPORATION (US) 2009-03-12 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 (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-10407443-B2 5-HT3 receptor antagonists HTR3A, HTR3B, HTR5A NR4A2 1436/4885RAB9A 1757/4885LMNA 3775/4885
US-20110104109-A1 TETRACYCLIC INDOLE DERIVATIVES AND THEIR USE FOR TREATING OR PREVENTING VIRAL INFECTIONS IDO1, IDO2, ZC3HAV1 NR4A2 1913/4885RAB9A 3773/4885LMNA 2851/4885
US-20160185801-A1 5-HT3 RECEPTOR ANTAGONISTS HTR3A, HTR5A, HTR3B NR4A2 1291/4885RAB9A 1877/4885LMNA 3559/4885
US-20110033417-A1 2,3-SUBSTITUTED INDOLE DERIVATIVES FOR TREATING VIRAL INFECTIONS IDO2, IDO1, IRF3 NR4A2 1370/4885RAB9A 3194/4885LMNA 3804/4885
US-20170260201-A1 5-HT3 RECEPTOR ANTAGONISTS HTR3A, HTR3B, HTR5A NR4A2 1436/4885RAB9A 1757/4885LMNA 3775/4885
US-20180327421-A1 5-HT3 RECEPTOR ANTAGONISTS HTR3A, HTR3B, HTR5A NR4A2 1436/4885RAB9A 1757/4885LMNA 3775/4885
US-20140024644-A1 5-HT3 RECEPTOR ANTAGONISTS HTR3A, HTR3B, HTR5A NR4A2 1436/4885RAB9A 1757/4885LMNA 3775/4885
US-20180072758-A1 5HT3 RECEPTOR ANTAGONISTS HTR3A, HTR3B, HTR5A NR4A2 1103/4885RAB9A 2052/4885LMNA 3514/4885
US-20160251373-A1 5-HT3 RECEPTOR ANTAGONISTS HTR3A, HTR3B, HTR5A NR4A2 1436/4885RAB9A 1757/4885LMNA 3775/4885
US-10125145-B2 5-HT3 receptor antagonists HTR3A, HTR3B, HTR5A NR4A2 1436/4885RAB9A 1757/4885LMNA 3775/4885

“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.