SCHEMBL273349

SCHEMBL273349

CCOC(=O)C1CN(C(=O)c2ccc(C)c([N+](=O)[O-])c2)CCc2c1[nH]c1ccccc21

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.46
GAA P10253 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
HTT P42858 2/20 0.46
MAPT P10636 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
ADRA2A P08913 1/20 0.43
ADRA1A P35348 1/20 0.43
HSP90AA1 P07900 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
KMT2A Q03164 3/20 0.43
LMNA P02545 2/20 0.43
MEN1 O00255 2/20 0.43
CDK4 P11802 4/20 0.42
CCND1 P24385 4/20 0.42
POLB P06746 2/20 0.41
MAPK1 P28482 1/20 0.41
MTHFD2 P13995 1/20 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
SCHEMBL275616 0.88 SMN1; SMN2 (0.54) ALDH1A1GAASMN1; SMN2HTTMAPT
SCHEMBL273558 0.84 ABCG2 (0.52) ALDH1A1GAAHTTMAPTNPSR1
SCHEMBL275525 0.83 ALDH1A1 (0.55) ALDH1A1GAAHTTMAPTNPSR1
SCHEMBL275317 0.83 MAPT (0.51) ALDH1A1GAAHTTMAPTNPSR1
SCHEMBL273496 0.83 NR1H4 (0.56) ALDH1A1GAAHTTMAPTNPSR1
SCHEMBL10290925 0.82 HPGD (0.52) GAAHTTMAPTNPSR1ADRA2A
SCHEMBL274292 0.82 ABCG2 (0.58) ALDH1A1GAAHTTMAPTNPSR1
SCHEMBL274080 0.82 ALDH1A1 (0.55) ALDH1A1GAASMN1; SMN2HTTMAPT
SCHEMBL275578 0.82 CDK4 (0.56) ALDH1A1GAAADRA2AADRA1AKMT2A
SCHEMBL275183 0.81 TRPV1 (0.47) ALDH1A1GAAHTTMAPTNPSR1

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 ALDH1A1 1722/4885GAA 1906/4885SMN1; SMN2 2596/4885
US-20100173824-A1 Azepinoindole Derivatives As Pharmaceutical Agents HTR2A, HTR5A, HTR2C ALDH1A1 1321/4885GAA 917/4885SMN1; SMN2 2899/4885
US-20090326218-A1 Azepinoindole and Pyridoindole Derivatives as Pharmaceutical Agents HTR5A, MTNR1A, PTGDR ALDH1A1 1722/4885GAA 1906/4885SMN1; SMN2 2596/4885
US-20050054634-A1 Modulating active of receptors; therapy prevention of disease such aas symthrome X, antidiabetic agents, insulin resistance, hypoglycemic agents GPR119, IRS1, INSR ALDH1A1 3963/4885GAA 746/4885SMN1; SMN2 2563/4885

“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.