SCHEMBL275183

SCHEMBL275183

CCOC(=O)C1CN(C(=O)c2ccc(C(C)(C)C)cc2)CCc2c1[nH]c1ccccc21

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 3/20 0.47
ADRA2A P08913 1/20 0.47
ADRA1A P35348 1/20 0.47
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
HTT P42858 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
ABCG2 Q9UNQ0 4/20 0.46
CDK4 P11802 3/20 0.45
CCND1 P24385 3/20 0.45
ALDH1A1 P00352 2/20 0.44
MTHFD2 P13995 1/20 0.44
NR1H4 Q96RI1 1/20 0.44
ABCB1 P08183 2/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
KDM4E B2RXH2 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
SCHEMBL273558 0.91 ABCG2 (0.52) ADRA2AADRA1AGAAMAPTHTT
SCHEMBL275525 0.89 ALDH1A1 (0.55) ADRA2AADRA1AGAAMAPTHTT
SCHEMBL273496 0.89 NR1H4 (0.56) ADRA2AADRA1AGAAMAPTHTT
SCHEMBL275317 0.89 MAPT (0.51) ADRA2AADRA1AGAAMAPTHTT
SCHEMBL10290925 0.88 HPGD (0.52) ADRA2AADRA1AGAAMAPTHTT
SCHEMBL274292 0.88 ABCG2 (0.58) TRPV1ADRA2AADRA1AGAAMAPT
SCHEMBL275616 0.86 SMN1; SMN2 (0.54) TRPV1ADRA2AADRA1AGAAMAPT
SCHEMBL274080 0.83 ALDH1A1 (0.55) ADRA2AADRA1AGAAMAPTHTT
SCHEMBL275578 0.82 CDK4 (0.56) ADRA2AADRA1AGAAABCG2CDK4
SCHEMBL273349 0.81 ALDH1A1 (0.46) ADRA2AADRA1AGAAMAPTHTT

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 TRPV1 277/4885ADRA2A 51/4885ADRA1A 143/4885
US-20100173824-A1 Azepinoindole Derivatives As Pharmaceutical Agents HTR2A, HTR5A, HTR2C TRPV1 160/4885ADRA2A 21/4885ADRA1A 71/4885
US-20090326218-A1 Azepinoindole and Pyridoindole Derivatives as Pharmaceutical Agents HTR5A, MTNR1A, PTGDR TRPV1 277/4885ADRA2A 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 TRPV1 412/4885ADRA2A 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.