SCHEMBL2582656

SCHEMBL2582656

O=C(O)C1CCC(c2noc3c2CCC3)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 8/20 0.40
NPC1 O15118 8/20 0.40
RAB9A P51151 8/20 0.40
MAPT P10636 6/20 0.40
TP53 P04637 1/20 0.40
SCD5 Q86SK9 2/20 0.39
KMT2A Q03164 5/20 0.36
MEN1 O00255 3/20 0.36
HPGD P15428 3/20 0.36
LMNA P02545 2/20 0.35
HTT P42858 1/20 0.35
POLB P06746 5/20 0.34
ALDH1A1 P00352 3/20 0.34
TSHR P16473 1/20 0.34
MCL1 Q07820 1/20 0.34
HSD17B10 Q99714 1/20 0.34
RECQL P46063 4/20 0.33
TDP1 Q9NUW8 4/20 0.33
NFKB1 P19838 1/20 0.33
APEX1 P27695 1/20 0.33

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
SCHEMBL2582653 1.00 SMN1; SMN2 (0.40) SMN1; SMN2NPC1RAB9AMAPTTP53
SCHEMBL2579232 0.97 SMN1; SMN2 (0.43) SMN1; SMN2NPC1RAB9AMAPTTP53
SCHEMBL2579749 0.97 SMN1; SMN2 (0.43) SMN1; SMN2NPC1RAB9AMAPTTP53
SCHEMBL2581371 0.83 SMN1; SMN2 (0.39) SMN1; SMN2NPC1RAB9AMAPTTP53
SCHEMBL2581375 0.83 SMN1; SMN2 (0.39) SMN1; SMN2NPC1RAB9AMAPTTP53
SCHEMBL2583719 0.80 SMN1; SMN2 (0.42) SMN1; SMN2NPC1RAB9AMAPTTP53
SCHEMBL2590304 0.80 SMN1; SMN2 (0.42) SMN1; SMN2NPC1RAB9AMAPTTP53
SCHEMBL23080490 0.77 SMN1; SMN2 (0.44) SMN1; SMN2NPC1RAB9AMAPTTP53
SCHEMBL12174856 0.75 RAB9A (0.46) SMN1; SMN2NPC1RAB9AMAPTTP53
SCHEMBL12180942 0.70 HSD17B10 (0.36) NPC1RAB9AMAPTHPGDLMNA

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

“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.