SCHEMBL274895

SCHEMBL274895

CCOC(=O)C1CNC(C)Cc2c1[nH]c1ccccc21

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.61
ALDH1A1 P00352 1/20 0.61
HSD17B10 Q99714 2/20 0.55
CYP1A2 P05177 1/20 0.55
CYP2D6 P10635 1/20 0.55
CYP2C9 P11712 1/20 0.55
MAPK1 P28482 1/20 0.55
CYP2C19 P33261 1/20 0.55
HTT P42858 2/20 0.48
TSHR P16473 1/20 0.48
KIF11 P52732 4/20 0.48
CCKBR P32239 2/20 0.47
MAPT P10636 2/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
LMNA P02545 1/20 0.46
GAA P10253 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
PDE5A O76074 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
SCHEMBL274714 0.81 KDM4E (0.70) KDM4EALDH1A1HSD17B10CYP1A2CYP2D6
SCHEMBL274285 0.81 KDM4E (0.54) KDM4EALDH1A1HSD17B10CYP1A2CYP2D6
SCHEMBL4726687 0.78 MAPT (0.72) KDM4EALDH1A1HSD17B10CYP1A2CYP2D6
SCHEMBL2216780 0.77 KDM4E (0.98) KDM4EALDH1A1HSD17B10CYP1A2CYP2D6
SCHEMBL16892184 0.77 KDM4E (0.98) KDM4EALDH1A1HSD17B10CYP1A2CYP2D6
SCHEMBL274594 0.76 KDM4E (0.51) KDM4EALDH1A1HSD17B10CYP1A2CYP2D6
SCHEMBL1921554 0.75 KDM4E (0.73) KDM4EALDH1A1HSD17B10CYP1A2CYP2D6
SCHEMBL2216298 0.74 KDM4E (0.76) KDM4EALDH1A1HSD17B10CYP1A2CYP2D6
SCHEMBL1921589 0.73 CCKBR (0.80) KDM4EALDH1A1HSD17B10CYP1A2CYP2D6
SCHEMBL273473 0.73 MAPKAPK2 (0.67) KDM4EALDH1A1HSD17B10CYP1A2CYP2D6

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 1722/4885HSD17B10 2862/4885
US-20100173824-A1 Azepinoindole Derivatives As Pharmaceutical Agents HTR2A, HTR5A, HTR2C KDM4E 4561/4885ALDH1A1 1321/4885HSD17B10 2865/4885
US-20090326218-A1 Azepinoindole and Pyridoindole Derivatives as Pharmaceutical Agents HTR5A, MTNR1A, PTGDR KDM4E 4534/4885ALDH1A1 1722/4885HSD17B10 2862/4885
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 3963/4885HSD17B10 1878/4885

“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.