SCHEMBL273520

SCHEMBL273520

CCOC(=O)C1=CN(C(=O)c2ccc3c(c2)OCO3)CCc2c1[nH]c1ccc(OC)cc21

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 10/20 0.57
HSD17B10 Q99714 4/20 0.55
MAPT P10636 4/20 0.55
MEN1 O00255 3/20 0.55
CYP1A2 P05177 3/20 0.55
CYP3A4 P08684 3/20 0.55
KMT2A Q03164 3/20 0.55
CYP2D6 P10635 2/20 0.55
CYP2C9 P11712 2/20 0.55
CYP2C19 P33261 2/20 0.55
TSHR P16473 1/20 0.55
ALOX12 P18054 1/20 0.55
ALDH1A1 P00352 3/20 0.46
HPGD P15428 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
ELANE P08246 1/20 0.44
KDM4E B2RXH2 5/20 0.43
ALOX15 P16050 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
NPC1 O15118 2/20 0.41

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
SCHEMBL273509 0.94 NR1H4 (0.57) NR1H4HSD17B10MAPTMEN1CYP1A2
SCHEMBL274083 0.90 NR1H4 (0.68) NR1H4HSD17B10MAPTMEN1CYP1A2
SCHEMBL275558 0.90 NR1H4 (0.58) NR1H4HSD17B10MAPTMEN1CYP1A2
SCHEMBL274043 0.89 NR1H4 (0.72) NR1H4HSD17B10MAPTMEN1CYP1A2
SCHEMBL274055 0.89 NR1H4 (0.68) NR1H4HSD17B10MAPTMEN1CYP1A2
SCHEMBL273631 0.87 NR1H4 (0.63) NR1H4HSD17B10MAPTMEN1CYP1A2
SCHEMBL273590 0.86 NR1H4 (0.64) NR1H4HSD17B10MAPTALDH1A1HPGD
SCHEMBL273824 0.86 NR1H4 (0.77) NR1H4HSD17B10MAPTMEN1KMT2A
SCHEMBL274535 0.86 NR1H4 (0.69) NR1H4MAPTMEN1CYP1A2KMT2A
SCHEMBL275310 0.85 NR1H4 (0.68) NR1H4HSD17B10MAPTMEN1CYP1A2

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 11 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-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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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 268/4885HSD17B10 2862/4885MAPT 2587/4885
US-20100173824-A1 Azepinoindole Derivatives As Pharmaceutical Agents HTR2A, HTR5A, HTR2C NR1H4 253/4885HSD17B10 2865/4885MAPT 2665/4885
US-20090326218-A1 Azepinoindole and Pyridoindole Derivatives as Pharmaceutical Agents HTR5A, MTNR1A, PTGDR NR1H4 268/4885HSD17B10 2862/4885MAPT 2587/4885
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 75/4885HSD17B10 1878/4885MAPT 3680/4885

“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.