SCHEMBL2579228

SCHEMBL2579228

NNC(=O)C1CCC(c2onc3c2CCCC3)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.39
LMNA P02545 2/20 0.39
SMN1; SMN2 Q16637 11/20 0.36
TP53 P04637 8/20 0.36
THRB P10828 1/20 0.34
RAB9A P51151 8/20 0.34
NPC1 O15118 7/20 0.34
PKM P14618 3/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
HTT P42858 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
FLT3 P36888 1/20 0.33
CYP1A2 P05177 2/20 0.33
CYP2C19 P33261 2/20 0.33
DHODH Q02127 1/20 0.33
ALDH1A1 P00352 2/20 0.32
SMYD3 Q9H7B4 1/20 0.32
POLB P06746 1/20 0.32
NFKB1 P19838 1/20 0.32

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
SCHEMBL2579226 1.00 MAPT (0.39) MAPTLMNASMN1; SMN2TP53THRB
SCHEMBL15914064 0.83 SMN1; SMN2 (0.39) MAPTLMNASMN1; SMN2TP53THRB
SCHEMBL14853198 0.83 SMN1; SMN2 (0.39) MAPTLMNASMN1; SMN2TP53THRB
SCHEMBL2586411 0.81 SMN1; SMN2 (0.40) MAPTLMNASMN1; SMN2TP53THRB
SCHEMBL2586413 0.81 SMN1; SMN2 (0.40) MAPTLMNASMN1; SMN2TP53THRB
SCHEMBL2596227 0.77 SMN1; SMN2 (0.35) MAPTLMNASMN1; SMN2TP53THRB
SCHEMBL2583717 0.76 SMN1; SMN2 (0.42) MAPTLMNASMN1; SMN2TP53RAB9A
SCHEMBL2590304 0.76 SMN1; SMN2 (0.42) MAPTLMNASMN1; SMN2TP53RAB9A
SCHEMBL2583719 0.76 SMN1; SMN2 (0.42) MAPTLMNASMN1; SMN2TP53RAB9A
SCHEMBL2581375 0.73 SMN1; SMN2 (0.39) MAPTLMNASMN1; SMN2TP53RAB9A

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2763997-B1 CYCLOHEXYL-4H,6H-5-OXA-2,3,10B-TRIAZA-BENZO[E]AZULENES AS V1A ANTAGONISTS HOFFMANN LA ROCHE (CH) 2017-08-02 EP disclosed
US-9346824-B2 Cyclohexyl-4H,6H-5-oxa-2,3,10b-triaza-benzo[e]azulenes as V1a antagonists HOFFMAN-LA ROCHE, INC. (US) 2016-05-24 US disclosed
EP-2569319-B1 HETEROARYL-CYCLOHEXYL-TETRAAZABENZO[E]AZULENES HOFFMANN LA ROCHE (CH) 2014-09-24 EP disclosed
EP-2763997-A1 CYCLOHEXYL-4H,6H-5-OXA-2,3,10B-TRIAZA-BENZO[E]AZULENES AS V1A ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2014-08-13 EP disclosed
US-20140221350-A1 Cyclohexyl-4H,6H-5-oxa-2,3,10b-triaza-benzo[e]azulenes as V1a antagonists HOFFMANN-LA ROCHE INC. (US) 2014-08-07 US disclosed
US-8513238-B2 Heteroaryl-cyclohexyl-tetraazabenzo[E]azulenes HOFFMANN-LA ROCHE INC. (US) 2013-08-20 US disclosed
WO-2013050334-A1 CYCLOHEXYL-4H,6H-5-OXA-2,3,10B-TRIAZA-BENZO[E]AZULENES AS V1A ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2013-04-11 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 (2 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-20140221350-A1 Cyclohexyl-4H,6H-5-oxa-2,3,10b-triaza-benzo[e]azulenes as V1a antagonists AVPR1A, AVPR1B, OXTR MAPT 4585/4885LMNA 4273/4885SMN1; SMN2 2648/4885
US-20110275801-A1 HETEROARYL-CYCLOHEXYL-TETRAAZABENZO[E]AZULENES AVPR1A, AVPR1B, OXTR MAPT 4631/4885LMNA 4217/4885SMN1; SMN2 3953/4885

“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.