SCHEMBL274076

SCHEMBL274076

O=C(O)C1=CN(C(=O)c2ccc3c(c2)OCO3)CCc2c1[nH]c1ccccc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 4/20 0.52
NPC1 O15118 3/20 0.44
TSHR P16473 3/20 0.44
HSD17B10 Q99714 3/20 0.44
RAB9A P51151 2/20 0.44
GFER P55789 1/20 0.44
PDE5A O76074 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MEN1 O00255 1/20 0.44
MAPT P10636 1/20 0.44
PKM P14618 1/20 0.44
KMT2A Q03164 1/20 0.44
ALDH1A1 P00352 6/20 0.43
HPGD P15428 3/20 0.43
TP53 P04637 1/20 0.43
HSD11B1 P28845 1/20 0.43
USP2 O75604 1/20 0.43
LMNA P02545 1/20 0.43
KDM4E B2RXH2 1/20 0.42
ALOX15 P16050 1/20 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
SCHEMBL274043 0.86 NR1H4 (0.72) NR1H4TSHRHSD17B10RAB9AMEN1
SCHEMBL273803 0.86 NR1H4 (0.72) NR1H4
SCHEMBL274013 0.85 NR1H4 (0.73) NR1H4TSHRHSD17B10MAPTALDH1A1
SCHEMBL272586 0.84 NR1H4 (0.61) NR1H4NPC1TSHRHSD17B10RAB9A
SCHEMBL273500 0.81 NR1H4 (0.73) NR1H4MTHFD2
SCHEMBL29881430 0.81 NR1H4 (0.73) NR1H4MTHFD2
SCHEMBL275401 0.81 NR1H4 (0.72) NR1H4TSHRHSD17B10RAB9ASMN1; SMN2
SCHEMBL4307628 0.81 HSD17B10 (0.45) NPC1TSHRHSD17B10RAB9AGFER
SCHEMBL4300281 0.81 HSD17B10 (0.47) NPC1TSHRHSD17B10RAB9AGFER
SCHEMBL4301576 0.80 NR1H4 (0.56) NR1H4NPC1TSHRHSD17B10RAB9A

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-8524704-B2 Azepinoindole derivatives as pharmaceutical agents EXELIXIS, INC. (US) 2013-09-03 US disclosed
US-8133992-B2 Azepinoindole and pyridoindole derivatives as pharmaceutical agents EXELIXIS, INC. (US) 2012-03-13 US disclosed
EP-1532153-B1 AZEPINOINDOLE AND PYRIDOINDOLE DERIVATIVES AS PHARMACEUTICAL AGENTS X CEPTOR THERAPEUTICS INC (US) 2012-02-29 EP disclosed
US-20100173824-A1 Azepinoindole Derivatives As Pharmaceutical Agents EXELIXIS, INC. (US) 2010-07-08 US disclosed
US-20090326218-A1 Azepinoindole and Pyridoindole Derivatives as Pharmaceutical Agents EXELIXIS, INC. (US) 2009-12-31 US disclosed
US-7595311-B2 Modulating active of receptors; therapy prevention of disease such aas symthrome X, antidiabetic agents, insulin resistance, hypoglycemic agents EXELIXIS, INC. (US) 2009-09-29 US disclosed
US-20090203577-A1 Azepinoindole Derivatives As Pharmaceutical Agents EXELIXIS, INC. (US) 2009-08-13 US disclosed
US-7485634-B2 Azepinoindole and pyridoindole derivatives as pharmaceutical agents EXELIXIS, INC. (US) 2009-02-03 US disclosed
EP-1692136-A2 AZEPINOINDOLE DERIVATIVES AS PHARMACEUTICAL AGENTS X-Ceptor Therapeutics, Inc. (US) 2006-08-23 EP disclosed
WO-2005056554-A2 AZEPINOINDOLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS, INC. (US) 2005-06-23 WO disclosed
EP-1532153-A1 AZEPINOINDOLE AND PYRIDOINDOLE DERIVATIVES AS PHARMACEUTICAL AGENTS X-Ceptor Therapeutics, Inc. (US) 2005-05-25 EP disclosed
US-20050054634-A1 Modulating active of receptors; therapy prevention of disease such aas symthrome X, antidiabetic agents, insulin resistance, hypoglycemic agents AKARNA THERAPEUTICS, LTD. (GB) 2005-03-10 US disclosed
US-20040023947-A1 Azepinoindole and pyridoindole derivatives as pharmaceutical agents X-CEPTOR THERAPEUTICS INC. 2004-02-05 US disclosed
WO-2003099821-A1 AZEPINOINDOLE AND PYRIDOINDOLE DERIVATIVES AS PHARMACEUTICAL AGENTS X-CEPTOR THERAPEUTICS, INC. (US) 2003-12-04 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 (5 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-20040023947-A1 Azepinoindole and pyridoindole derivatives as pharmaceutical agents HTR5A, MTNR1A, PTGDR NR1H4 268/4885NPC1 1969/4885TSHR 106/4885
US-20100173824-A1 Azepinoindole Derivatives As Pharmaceutical Agents HTR2A, HTR5A, HTR2C NR1H4 253/4885NPC1 864/4885TSHR 176/4885
US-20090326218-A1 Azepinoindole and Pyridoindole Derivatives as Pharmaceutical Agents HTR5A, MTNR1A, PTGDR NR1H4 268/4885NPC1 1969/4885TSHR 106/4885
US-20090203577-A1 Azepinoindole Derivatives As Pharmaceutical Agents NR1H4, NR1I2, GPBAR1 NR1H4 1/4885NPC1 60/4885TSHR 280/4885
US-20050054634-A1 Modulating active of receptors; therapy prevention of disease such aas symthrome X, antidiabetic agents, insulin resistance, hypoglycemic agents GPR119, IRS1, INSR NR1H4 75/4885NPC1 1345/4885TSHR 271/4885

“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.