SCHEMBL2579784

SCHEMBL2579784

CCOC(=O)[C@H]1CC[C@H](n2nc(C)cc2C)CC1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.48
KDM4E B2RXH2 4/20 0.48
HPGD P15428 1/20 0.48
HSD17B10 Q99714 1/20 0.48
KMT2A Q03164 4/20 0.47
MEN1 O00255 3/20 0.47
GLA P06280 1/20 0.47
HTT P42858 2/20 0.43
LMNA P02545 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.41
MAPT P10636 2/20 0.41
PKM P14618 1/20 0.41
TSHR P16473 1/20 0.41
LGMN Q99538 1/20 0.41
SMN1; SMN2 Q16637 1/20 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
SCHEMBL2579788 1.00 ALDH1A1 (0.48) ALDH1A1KDM4EHPGDHSD17B10KMT2A
SCHEMBL2576704 0.81 KDM4E (0.45) ALDH1A1KDM4EHPGDHSD17B10KMT2A
SCHEMBL2576703 0.81 KDM4E (0.45) ALDH1A1KDM4EHPGDHSD17B10KMT2A
SCHEMBL2852272 0.81 L3MBTL1 (0.50) ALDH1A1KDM4EL3MBTL1PKMTSHR
SCHEMBL15935405 0.78 SMN1; SMN2 (0.41) ALDH1A1KDM4EHSD17B10KMT2AMEN1
SCHEMBL2586846 0.76 MAPT (0.42) ALDH1A1KDM4EKMT2AMEN1HTT
SCHEMBL2586900 0.76 KDM4E (0.42) ALDH1A1KDM4EPKMTSHRSMN1; SMN2
SCHEMBL2586849 0.76 MAPT (0.42) ALDH1A1KDM4EKMT2AMEN1HTT
SCHEMBL2586897 0.76 KDM4E (0.42) ALDH1A1KDM4EPKMTSHRSMN1; SMN2
SCHEMBL21997165 0.76 KMT2A (0.43) ALDH1A1KDM4EHPGDHSD17B10KMT2A

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 9 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
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
US-8513238-B2 Heteroaryl-cyclohexyl-tetraazabenzo[E]azulenes HOFFMANN-LA ROCHE INC. (US) 2013-08-20 US disclosed
US-8513238-B2 Heteroaryl-cyclohexyl-tetraazabenzo[E]azulenes HOFFMANN-LA ROCHE INC. (US) 2013-08-20 US 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
US-20110275801-A1 HETEROARYL-CYCLOHEXYL-TETRAAZABENZO[E]AZULENES HOFFMANN-LA ROCHE, INC. 2011-11-10 US 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 ALDH1A1 564/4885KDM4E 3114/4885HPGD 2696/4885

“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.