SCHEMBL2579749

SCHEMBL2579749

O=C(O)[C@H]1CC[C@@H](c2noc3c2CCCC3)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 7/20 0.43
RAB9A P51151 7/20 0.43
NPC1 O15118 6/20 0.43
TP53 P04637 2/20 0.43
MAPT P10636 1/20 0.43
SCD5 Q86SK9 2/20 0.41
KMT2A Q03164 5/20 0.39
MEN1 O00255 3/20 0.39
HPGD P15428 2/20 0.39
LMNA P02545 5/20 0.38
HTT P42858 1/20 0.38
DHODH Q02127 1/20 0.35
ALDH1A1 P00352 4/20 0.34
GAA P10253 2/20 0.34
MAPK1 P28482 1/20 0.34
TSHR P16473 1/20 0.34
KDM4E B2RXH2 1/20 0.34
NFKB1 P19838 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34

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
SCHEMBL2579232 1.00 SMN1; SMN2 (0.43) SMN1; SMN2RAB9ANPC1TP53MAPT
SCHEMBL2582656 0.97 SMN1; SMN2 (0.40) SMN1; SMN2RAB9ANPC1TP53MAPT
SCHEMBL2582653 0.97 SMN1; SMN2 (0.40) SMN1; SMN2RAB9ANPC1TP53MAPT
SCHEMBL2583719 0.83 SMN1; SMN2 (0.42) SMN1; SMN2RAB9ANPC1TP53MAPT
SCHEMBL2590304 0.83 SMN1; SMN2 (0.42) SMN1; SMN2RAB9ANPC1TP53MAPT
SCHEMBL2581375 0.80 SMN1; SMN2 (0.39) SMN1; SMN2RAB9ANPC1TP53MAPT
SCHEMBL2581371 0.80 SMN1; SMN2 (0.39) SMN1; SMN2RAB9ANPC1TP53MAPT
SCHEMBL23080490 0.80 SMN1; SMN2 (0.44) SMN1; SMN2RAB9ANPC1TP53MAPT
SCHEMBL12174856 0.79 RAB9A (0.46) SMN1; SMN2RAB9ANPC1TP53MAPT
SCHEMBL15914064 0.73 SMN1; SMN2 (0.39) SMN1; SMN2RAB9ANPC1TP53MAPT

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 SMN1; SMN2 3953/4885RAB9A 724/4885NPC1 2146/4885

“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.