SCHEMBL274292

SCHEMBL274292

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

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 8/20 0.58
ABCB1 P08183 7/20 0.58
CDK4 P11802 3/20 0.49
CCND1 P24385 3/20 0.49
NR1H4 Q96RI1 1/20 0.49
ADRA2A P08913 1/20 0.47
ADRA1A P35348 1/20 0.47
LMNA P02545 3/20 0.47
TP53 P04637 2/20 0.47
MAPT P10636 4/20 0.46
GAA P10253 1/20 0.46
HTT P42858 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
ALDH1A1 P00352 1/20 0.46
TRPV1 Q8NER1 1/20 0.46

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
SCHEMBL10290925 0.93 HPGD (0.52) ABCG2ABCB1CDK4CCND1NR1H4
SCHEMBL275317 0.92 MAPT (0.51) ABCG2ABCB1CDK4CCND1NR1H4
SCHEMBL273558 0.92 ABCG2 (0.52) ABCG2ABCB1CDK4CCND1ADRA2A
SCHEMBL275578 0.90 CDK4 (0.56) ABCG2ABCB1CDK4CCND1ADRA2A
SCHEMBL273496 0.90 NR1H4 (0.56) ABCG2ABCB1CDK4CCND1NR1H4
SCHEMBL275525 0.90 ALDH1A1 (0.55) ABCG2ABCB1CDK4CCND1NR1H4
SCHEMBL275183 0.88 TRPV1 (0.47) ABCG2ABCB1CDK4CCND1NR1H4
SCHEMBL275616 0.87 SMN1; SMN2 (0.54) ABCG2ABCB1CDK4CCND1NR1H4
SCHEMBL274080 0.84 ALDH1A1 (0.55) ADRA2AADRA1ALMNATP53MAPT
SCHEMBL273349 0.82 ALDH1A1 (0.46) CDK4CCND1ADRA2AADRA1ALMNA

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 ABCG2 525/4885ABCB1 1261/4885CDK4 1220/4885
US-20100173824-A1 Azepinoindole Derivatives As Pharmaceutical Agents HTR2A, HTR5A, HTR2C ABCG2 389/4885ABCB1 847/4885CDK4 1808/4885
US-20090326218-A1 Azepinoindole and Pyridoindole Derivatives as Pharmaceutical Agents HTR5A, MTNR1A, PTGDR ABCG2 525/4885ABCB1 1261/4885CDK4 1220/4885
US-20050054634-A1 Modulating active of receptors; therapy prevention of disease such aas symthrome X, antidiabetic agents, insulin resistance, hypoglycemic agents GPR119, IRS1, INSR ABCG2 1750/4885ABCB1 2900/4885CDK4 4142/4885

“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.