SCHEMBL275385

SCHEMBL275385

CCOC(=O)C1CNCC(C(C)=O)c2c1[nH]c1ccccc21.c1cc2cc-2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.44
ALDH1A1 P00352 5/20 0.44
KIF11 P52732 4/20 0.42
HSD17B10 Q99714 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
MAPK1 P28482 1/20 0.41
CYP2C19 P33261 1/20 0.41
MAPT P10636 4/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
LMNA P02545 2/20 0.40
GAA P10253 3/20 0.40
HTT P42858 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.38
RAB9A P51151 2/20 0.38
HCRTR1 O43613 1/20 0.38
ALOX15 P16050 1/20 0.38

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
SCHEMBL274594 0.83 KDM4E (0.51) KDM4EALDH1A1KIF11HSD17B10CYP1A2
SCHEMBL275139 0.76 NR1H4 (0.46) KDM4EALDH1A1HSD17B10MAPTMEN1
SCHEMBL273868 0.74 KDM4E (0.47) KDM4EALDH1A1KIF11HSD17B10CYP1A2
SCHEMBL274285 0.74 KDM4E (0.54) KDM4EALDH1A1KIF11HSD17B10CYP1A2
Hydrochloric Acid SCHEMBL10644537 0.74 KDM4E (0.58) KDM4EALDH1A1HSD17B10CYP1A2CYP2D6
SCHEMBL274895 0.69 KDM4E (0.61) KDM4EALDH1A1KIF11HSD17B10CYP1A2
SCHEMBL272916 0.68 KDM4E (0.55) KDM4EALDH1A1KIF11HSD17B10CYP1A2
SCHEMBL17500331 0.68 KDM4E (0.48) KDM4EALDH1A1HSD17B10KMT2AALOX15
SCHEMBL4726687 0.67 MAPT (0.72) KDM4EALDH1A1KIF11HSD17B10CYP1A2
SCHEMBL274129 0.66 KDM4E (0.42) KDM4EALDH1A1HSD17B10LMNAHPGD

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 4534/4885ALDH1A1 1722/4885KIF11 4399/4885
US-20100173824-A1 Azepinoindole Derivatives As Pharmaceutical Agents HTR2A, HTR5A, HTR2C KDM4E 4561/4885ALDH1A1 1321/4885KIF11 4440/4885
US-20090326218-A1 Azepinoindole and Pyridoindole Derivatives as Pharmaceutical Agents HTR5A, MTNR1A, PTGDR KDM4E 4534/4885ALDH1A1 1722/4885KIF11 4399/4885
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 4581/4885ALDH1A1 3963/4885KIF11 4228/4885

“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.