SCHEMBL506891

SCHEMBL506891

CC(C)(C)OC(=O)NCc1ccc(-c2ccncc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 2/20 0.61
PPID Q08752 1/20 0.56
NAMPT P43490 2/20 0.56
L3MBTL1 Q9Y468 1/20 0.53
HDAC1 Q13547 1/20 0.52
ROCK2 O75116 2/20 0.50
ROCK1 Q13464 2/20 0.50
AKT1 P31749 2/20 0.50
RPS6KA5 O75582 1/20 0.50
MAP4K4 O95819 1/20 0.50
PRKCG P05129 1/20 0.50
PRKACA P17612 1/20 0.50
RPS6KB1 P23443 1/20 0.50
MAPK1 P28482 1/20 0.50
GSK3A P49840 1/20 0.50
GSK3B P49841 1/20 0.50
PRKX P51817 1/20 0.50
PRKCD Q05655 1/20 0.50
PRKG2 Q13237 1/20 0.50
DYRK1A Q13627 1/20 0.50

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
SCHEMBL481947 0.91 RAB9A (0.58) CYP17A1NAMPTL3MBTL1MAPK1RAB9A
SCHEMBL12346711 0.88 NAMPT (0.56) CYP17A1NAMPTL3MBTL1RAB9ANR1H4
SCHEMBL23291128 0.86 CYP17A1 (0.59) CYP17A1PPIDNAMPTROCK2ROCK1
SCHEMBL3180689 0.86 L3MBTL1 (0.61) NAMPTL3MBTL1HDAC1SDCBPSDC2
SCHEMBL301717 0.85 PRMT6 (0.56) CYP17A1NAMPTHDAC1ROCK2ROCK1
SCHEMBL2568479 0.85 NAMPT (0.66) CYP17A1NAMPTL3MBTL1HDAC1AKT1
SCHEMBL2567630 0.85 HDAC1 (0.57) CYP17A1NAMPTL3MBTL1HDAC1SDCBP
SCHEMBL1691047 0.85 HDAC1 (0.67) NAMPTL3MBTL1HDAC1SDCBPSDC2
SCHEMBL5459163 0.85 CYP17A1 (0.57) CYP17A1NAMPTL3MBTL1RAB9ANR1H4
SCHEMBL15729229 0.84 HDAC1 (0.52) NAMPTL3MBTL1HDAC1AKT1

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
EP-1451185-B1 INDOLE-2-CARBOXAMIDES AS FACTOR XA INHIBITORS SANOFI AVENTIS DEUTSCHLAND (DE) 2014-08-06 EP disclosed
EP-1451185-B1 INDOLE-2-CARBOXAMIDES AS FACTOR XA INHIBITORS SANOFI AVENTIS DEUTSCHLAND (DE) 2014-08-06 EP disclosed
EP-1720836-B1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO [D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS LILLY CO ELI (US) 2014-04-16 EP disclosed
EP-1720836-B1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO [D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS LILLY CO ELI (US) 2014-04-16 EP disclosed
US-8580780-B2 6 substituted 2, 3,4,5 tetrahydro-1H-benzo[d]azepines as 5-HT2C receptor agonist ELI LILLY AND COMPANY (US) 2013-11-12 US disclosed
US-8580780-B2 6 substituted 2, 3,4,5 tetrahydro-1H-benzo[d]azepines as 5-HT2C receptor agonist ELI LILLY AND COMPANY (US) 2013-11-12 US disclosed
EP-2479168-A1 6-Substituted 2,3,4,5-Tetrahydro-1H-Benzo [d]Azepines as 5-HT2C Receptor Agonists ELI LILLY AND COMPANY (US) 2012-07-25 EP disclosed
US-20120028961-A1 6 Substituted 2, 3,4,5 Tetrahydro-1H-Benzo[d]Azepines as 5-HT2c Receptor Agonist ELI LILLY AND COMPANY (US) 2012-02-02 US disclosed
CN-102329267-A 6-substituted 2,3,4, 5-tetrahydro-1H-benzo [d] aza as 5-HT2Creceptor agonists LILLY CO ELI 2012-01-25 CN disclosed
CN-102311387-A 6-substituted 2,3,4, 5-tetrahydro-1H-benzo [d] aza as 5-HT2Creceptor agonists LILLY CO ELI 2012-01-11 CN disclosed
CN-1934088-A As 5-HT2c6-substituted 2,3,4, 5-tetrahydro-1H-benzo [ d ] receptor agonists]Aza * LILLY CO ELI (US) 2007-03-21 CN disclosed
EP-1720836-A1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO [D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS ELI LILLY AND COMPANY (US) 2006-11-15 EP disclosed
WO-2005082859-A1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS ELI LILLY AND COMPANY (US) 2005-09-09 WO disclosed
US-6906084-B2 Indole derivatives as factor Xa inhibitors AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2005-06-14 US disclosed
US-20050043302-A1 New indole derivatives as factor Xa inhibitors AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2005-02-24 US disclosed
EP-1451185-A1 INDOLE-2-CARBOXAMIDES AS FACTOR XA INHIBITORS Aventis Pharma Deutschland GmbH (DE) 2004-09-01 EP disclosed
US-20030199689-A1 New indole derivatives as factor Xa inhibitors SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2003-10-23 US disclosed
WO-2003044014-A1 INDOLE-2-CARBOXAMIDES AS FACTOR XA INHIBITORS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2003-05-30 WO disclosed
WO-2003044014-A1 INDOLE-2-CARBOXAMIDES AS FACTOR XA INHIBITORS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2003-05-30 WO disclosed
EP-1314733-A1 Indole-2-carboxamides as factor Xa inhibitors Aventis Pharma Deutschland GmbH (DE) 2003-05-28 EP 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 (3 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-20030199689-A1 New indole derivatives as factor Xa inhibitors F5, F12, F2 CYP17A1 418/4885PPID 1650/4885NAMPT 3933/4885
US-20120028961-A1 6 Substituted 2, 3,4,5 Tetrahydro-1H-Benzo[d]Azepines as 5-HT2c Receptor Agonist HTR2C, HTR4, HTR1A CYP17A1 901/4885PPID 3045/4885NAMPT 4611/4885
US-20050043302-A1 New indole derivatives as factor Xa inhibitors F12, F5, F2 CYP17A1 808/4885PPID 1331/4885NAMPT 3579/4885

“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.