SCHEMBL272916

SCHEMBL272916

CCOC(=O)C1NCC(C)c2c1[nH]c1ccccc21

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.55
ALDH1A1 P00352 2/20 0.55
MAPKAPK2 P49137 3/20 0.50
HSD17B10 Q99714 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
MAPK1 P28482 1/20 0.48
CYP2C19 P33261 1/20 0.48
NR1H4 Q96RI1 4/20 0.46
TSHR P16473 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
ALOX15 P16050 1/20 0.42
MEN1 O00255 2/20 0.41
MAPT P10636 2/20 0.41
KMT2A Q03164 2/20 0.41
HCRTR1 O43613 1/20 0.41
RAB9A P51151 1/20 0.41
KIF11 P52732 2/20 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
SCHEMBL274594 0.82 KDM4E (0.51) KDM4EALDH1A1HSD17B10CYP1A2CYP2D6
SCHEMBL1801427 0.82 MAPKAPK2 (0.66) KDM4EALDH1A1MAPKAPK2HSD17B10CYP2D6
SCHEMBL10481507 0.77 MAPKAPK2 (0.67) KDM4EALDH1A1MAPKAPK2HSD17B10CYP1A2
SCHEMBL273473 0.77 MAPKAPK2 (0.67) KDM4EALDH1A1MAPKAPK2HSD17B10CYP1A2
SCHEMBL273648 0.75 KDM4E (0.51) KDM4EALDH1A1HSD17B10CYP1A2CYP2D6
SCHEMBL274714 0.74 KDM4E (0.70) KDM4EALDH1A1MAPKAPK2HSD17B10CYP1A2
SCHEMBL274895 0.72 KDM4E (0.61) KDM4EALDH1A1HSD17B10CYP1A2CYP2D6
SCHEMBL7381043 0.71 KDM4E (0.60) KDM4EALDH1A1HSD17B10CYP1A2CYP2D6
SCHEMBL16892184 0.71 KDM4E (0.98) KDM4EALDH1A1HSD17B10CYP1A2CYP2D6
SCHEMBL2216780 0.71 KDM4E (0.98) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20090326218-A1 Azepinoindole and Pyridoindole Derivatives as Pharmaceutical Agents EXELIXIS, INC. (US) 2009-12-31 US disclosed
US-7485634-B2 Azepinoindole and pyridoindole derivatives as pharmaceutical agents EXELIXIS, INC. (US) 2009-02-03 US disclosed
EP-1532153-A1 AZEPINOINDOLE AND PYRIDOINDOLE DERIVATIVES AS PHARMACEUTICAL AGENTS X-Ceptor Therapeutics, Inc. (US) 2005-05-25 EP disclosed
US-20040023947-A1 Azepinoindole and pyridoindole derivatives as pharmaceutical agents X-CEPTOR THERAPEUTICS INC. 2004-02-05 US disclosed
WO-2003099821-A1 AZEPINOINDOLE AND PYRIDOINDOLE DERIVATIVES AS PHARMACEUTICAL AGENTS X-CEPTOR THERAPEUTICS, INC. (US) 2003-12-04 WO 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 (2 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 1722/4885MAPKAPK2 1349/4885
US-20090326218-A1 Azepinoindole and Pyridoindole Derivatives as Pharmaceutical Agents HTR5A, MTNR1A, PTGDR KDM4E 4534/4885ALDH1A1 1722/4885MAPKAPK2 1349/4885

“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.