SCHEMBL328083

SCHEMBL328083

O=C(O)C1=CN(C(=O)c2ccc(F)cc2)CCc2c1[nH]c1ccc(OCCN3CCOCC3)cc21

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 15/20 0.52
PARP1 P09874 1/20 0.46
KCNH2 Q12809 1/20 0.45
PDGFRB P09619 1/20 0.42
PDGFRA P16234 1/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PRKAB2 O43741 1/20 0.39
PRKAG1 P54619 1/20 0.39
PRKAA2 P54646 1/20 0.39
PRKAA1 Q13131 1/20 0.39
PRKAG3 Q9UGI9 1/20 0.39
PRKAG2 Q9UGJ0 1/20 0.39
PRKAB1 Q9Y478 1/20 0.39

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
SCHEMBL274986 0.90 NR1H4 (0.66) NR1H4PARP1KCNH2KDM4EALDH1A1
SCHEMBL275056 0.82 NR1H4 (0.68) NR1H4PARP1
SCHEMBL328087 0.82 NR1H4 (0.58) NR1H4KDM4EALDH1A1SMN1; SMN2
SCHEMBL13284304 0.80 NR1H4 (0.76) NR1H4KCNH2
SCHEMBL273500 0.76 NR1H4 (0.73) NR1H4
SCHEMBL29881430 0.76 NR1H4 (0.73) NR1H4
SCHEMBL275440 0.76 NR1H4 (0.64) NR1H4KCNH2
SCHEMBL15526741 0.75 NR1H4 (0.58) NR1H4KCNH2
SCHEMBL5732451 0.74 NR1H4 (0.52) NR1H4ALDH1A1
SCHEMBL1968461 0.74 NR1H4 (0.82) NR1H4KCNH2

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 5 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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20090326218-A1 Azepinoindole and Pyridoindole Derivatives as Pharmaceutical Agents HTR5A, MTNR1A, PTGDR NR1H4 268/4885PARP1 3420/4885KCNH2 2762/4885

“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.