SCHEMBL2586849

SCHEMBL2586849

CCOC(=O)C1CCC(n2nc(C)c(C)c2C)CC1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.42
ALDH1A1 P00352 5/20 0.41
KMT2A Q03164 3/20 0.41
MEN1 O00255 1/20 0.41
POLB P06746 1/20 0.40
LMNA P02545 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HTT P42858 2/20 0.39
PKM P14618 1/20 0.39
KDM4E B2RXH2 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
SCHEMBL2586846 1.00 MAPT (0.42) MAPTALDH1A1KMT2AMEN1POLB
SCHEMBL1357790 0.86 MAPT (0.40) MAPTALDH1A1KMT2AMEN1POLB
SCHEMBL1357791 0.86 MAPT (0.40) MAPTALDH1A1KMT2AMEN1POLB
SCHEMBL2586040 0.80 PDE7A (0.41) MAPTALDH1A1KMT2AMEN1LMNA
SCHEMBL2586043 0.80 PDE7A (0.41) MAPTALDH1A1KMT2AMEN1LMNA
SCHEMBL1359116 0.78 MAPT (0.34) MAPTALDH1A1KMT2AMEN1POLB
SCHEMBL1359115 0.78 MAPT (0.34) MAPTALDH1A1KMT2AMEN1POLB
SCHEMBL2579788 0.76 ALDH1A1 (0.48) MAPTALDH1A1KMT2AMEN1LMNA
SCHEMBL2595925 0.76 ALDH1A1 (0.37) ALDH1A1KMT2AMEN1POLBKDM4E
SCHEMBL2579784 0.76 ALDH1A1 (0.48) MAPTALDH1A1KMT2AMEN1LMNA

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
EP-2569319-B1 HETEROARYL-CYCLOHEXYL-TETRAAZABENZO[E]AZULENES HOFFMANN LA ROCHE (CH) 2014-09-24 EP disclosed
US-8513238-B2 Heteroaryl-cyclohexyl-tetraazabenzo[E]azulenes HOFFMANN-LA ROCHE INC. (US) 2013-08-20 US disclosed
EP-2569319-A1 HETEROARYL-CYCLOHEXYL-TETRAAZABENZO[E]AZULENES F.HOFFMANN-LA ROCHE AG (CH) 2013-03-20 EP disclosed
WO-2011141396-A1 HETEROARYL-CYCLOHEXYL-TETRAAZABENZO[E]AZULENES F. HOFFMANN-LA ROCHE AG (CH) 2011-11-17 WO disclosed
US-20110275801-A1 HETEROARYL-CYCLOHEXYL-TETRAAZABENZO[E]AZULENES HOFFMANN-LA ROCHE, INC. 2011-11-10 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-20110275801-A1 HETEROARYL-CYCLOHEXYL-TETRAAZABENZO[E]AZULENES AVPR1A, AVPR1B, OXTR MAPT 4631/4885ALDH1A1 564/4885KMT2A 2969/4885

“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.