SCHEMBL275384

SCHEMBL275384

CCOC(=O)C1CN(C(=O)Cc2ccccc2)CCc2c1[nH]c1ccccc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.50
ADRA2A P08913 1/20 0.49
ADRA1A P35348 1/20 0.49
HSD17B10 Q99714 3/20 0.48
ALDH1A1 P00352 2/20 0.48
HPGD P15428 1/20 0.48
LMNA P02545 7/20 0.48
MAPT P10636 4/20 0.46
HDAC6 Q9UBN7 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
GAA P10253 1/20 0.44
HTT P42858 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
TP53 P04637 2/20 0.43
THRB P10828 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
MAPK1 P28482 1/20 0.43

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
SCHEMBL273676 0.91 LMNA (0.57) KDM4EADRA2AADRA1AHSD17B10ALDH1A1
SCHEMBL273558 0.86 ABCG2 (0.52) KDM4EADRA2AADRA1AALDH1A1MAPT
SCHEMBL274586 0.82 ADRA2A (0.52) KDM4EADRA2AADRA1AHSD17B10ALDH1A1
SCHEMBL275525 0.81 ALDH1A1 (0.55) ADRA2AADRA1AALDH1A1LMNAMAPT
SCHEMBL273496 0.81 NR1H4 (0.56) ADRA2AADRA1AALDH1A1LMNAMAPT
SCHEMBL275317 0.81 MAPT (0.51) KDM4EADRA2AADRA1AALDH1A1MAPT
SCHEMBL10290925 0.80 HPGD (0.52) KDM4EADRA2AADRA1AHPGDLMNA
SCHEMBL274292 0.80 ABCG2 (0.58) ADRA2AADRA1AALDH1A1LMNAMAPT
SCHEMBL275594 0.80 MAPT (0.56) ADRA2AADRA1ALMNAMAPTMEN1
SCHEMBL275183 0.80 TRPV1 (0.47) KDM4EADRA2AADRA1AALDH1A1MAPT

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 KDM4E 4534/4885ADRA2A 51/4885ADRA1A 143/4885
US-20100173824-A1 Azepinoindole Derivatives As Pharmaceutical Agents HTR2A, HTR5A, HTR2C KDM4E 4561/4885ADRA2A 21/4885ADRA1A 71/4885
US-20090326218-A1 Azepinoindole and Pyridoindole Derivatives as Pharmaceutical Agents HTR5A, MTNR1A, PTGDR KDM4E 4534/4885ADRA2A 51/4885ADRA1A 143/4885
US-20050054634-A1 Modulating active of receptors; therapy prevention of disease such aas symthrome X, antidiabetic agents, insulin resistance, hypoglycemic agents GPR119, IRS1, INSR KDM4E 4581/4885ADRA2A 196/4885ADRA1A 347/4885

“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.