SCHEMBL274591

SCHEMBL274591

CCOC(=O)C1=CN(C(=O)Oc2ccccc2)CCc2c1[nH]c1cc(F)ccc21

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 13/20 0.65
FAAH O00519 1/20 0.41
TRPV1 Q8NER1 1/20 0.41
DRD2 P14416 1/20 0.40
DRD4 P21917 1/20 0.40
DRD3 P35462 1/20 0.40
MAPK10 P53779 2/20 0.39
AURKA O14965 1/20 0.39
RIPK1 Q13546 1/20 0.39
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
KMT2A Q03164 1/20 0.37
HSD17B10 Q99714 1/20 0.37
OPRM1 P35372 1/20 0.37
OGFRL1 Q5TC84 1/20 0.37

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
SCHEMBL273499 0.90 NR1H4 (0.67) NR1H4FAAHTRPV1MAPK10AURKA
SCHEMBL275700 0.90 NR1H4 (0.56) NR1H4FAAHTRPV1MAPK10AURKA
SCHEMBL273616 0.88 NR1H4 (0.67) NR1H4DRD2DRD4DRD3MAPK10
SCHEMBL275270 0.88 NR1H4 (0.81) NR1H4DRD2DRD4DRD3
SCHEMBL272925 0.86 NR1H4 (0.67) NR1H4MAPK10AURKARIPK1KDM4E
SCHEMBL274776 0.84 NR1H4 (0.65) NR1H4FAAHTRPV1MAPK10AURKA
SCHEMBL272778 0.84 NR1H4 (0.56) NR1H4KDM4EMEN1ALDH1A1LMNA
SCHEMBL273856 0.84 NR1H4 (0.70) NR1H4DRD2DRD4DRD3MAPK10
SCHEMBL274814 0.84 NR1H4 (0.64) NR1H4FAAHTRPV1MAPK10AURKA
SCHEMBL273098 0.84 NR1H4 (0.84) NR1H4KDM4EMAPTHSD17B10

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 8 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 claimed
JP-4646293-B2 2011-03-09 JP claimed
US-20090326218-A1 Azepinoindole and Pyridoindole Derivatives as Pharmaceutical Agents EXELIXIS, INC. (US) 2009-12-31 US claimed
US-7485634-B2 Azepinoindole and pyridoindole derivatives as pharmaceutical agents EXELIXIS, INC. (US) 2009-02-03 US claimed
JP-2005531585-A 2005-10-20 JP claimed
EP-1532153-A1 AZEPINOINDOLE AND PYRIDOINDOLE DERIVATIVES AS PHARMACEUTICAL AGENTS X-Ceptor Therapeutics, Inc. (US) 2005-05-25 EP claimed
US-20040023947-A1 Azepinoindole and pyridoindole derivatives as pharmaceutical agents X-CEPTOR THERAPEUTICS INC. 2004-02-05 US claimed
WO-2003099821-A1 AZEPINOINDOLE AND PYRIDOINDOLE DERIVATIVES AS PHARMACEUTICAL AGENTS X-CEPTOR THERAPEUTICS, INC. (US) 2003-12-04 WO claimed

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 NR1H4 268/4885FAAH 1277/4885TRPV1 277/4885
US-20090326218-A1 Azepinoindole and Pyridoindole Derivatives as Pharmaceutical Agents HTR5A, MTNR1A, PTGDR NR1H4 268/4885FAAH 1277/4885TRPV1 277/4885

“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.