SCHEMBL719713

SCHEMBL719713

CC(C)(C)OC(=O)N1CCc2cc(N)c(N)cc2CC1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.62
ESR2 Q92731 1/20 0.59
USP2 O75604 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
SMARCA2 P51531 1/20 0.45
SMARCA4 P51532 1/20 0.45
PBRM1 Q86U86 1/20 0.45
ADORA1 P30542 1/20 0.45
MAPT P10636 2/20 0.45
KDM4E B2RXH2 1/20 0.45
THRB P10828 1/20 0.45
GPR119 Q8TDV5 3/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
KDM1A O60341 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
MAPK1 P28482 1/20 0.42

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
SCHEMBL2307613 0.91 ESR2 (0.58) NR1H2ESR2USP2SMN1; SMN2NPC1
SCHEMBL5443139 0.91 NR1H2 (0.56) NR1H2ESR2USP2SMN1; SMN2NPC1
SCHEMBL5436944 0.90 ESR2 (0.56) NR1H2ESR2USP2SMN1; SMN2NPC1
SCHEMBL5437001 0.90 NR1H2 (0.55) NR1H2ESR2USP2SMN1; SMN2NPC1
SCHEMBL3897363 0.90 NR1H2 (0.55) NR1H2ESR2USP2SMN1; SMN2NPC1
SCHEMBL519943 0.89 NR1H2 (0.54) NR1H2ESR2USP2SMN1; SMN2NPC1
SCHEMBL5445035 0.89 NR1H2 (0.54) NR1H2ESR2USP2SMN1; SMN2NPC1
SCHEMBL5443089 0.87 NR1H2 (0.53) NR1H2ESR2USP2SMN1; SMN2NPC1
SCHEMBL6364931 0.86 NR1H2 (0.52) NR1H2ESR2USP2SMN1; SMN2NPC1
SCHEMBL29051711 0.86 NR1H2 (0.52) NR1H2ESR2NPC1RAB9AADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120053168-A1 FUSED BENZOAZEPINES AS NEURONAL NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS TARGACEPT, INC. (US) 2012-03-01 US claimed
US-20120053168-A1 FUSED BENZOAZEPINES AS NEURONAL NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS TARGACEPT, INC. (US) 2012-03-01 US disclosed
WO-2010096384-A2 FUSED BENZAZEPINES AS NEURONAL NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS TARGACEPT, INC. (US) 2010-08-26 WO 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-20120053168-A1 FUSED BENZOAZEPINES AS NEURONAL NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS CHRNA2, CHRNA5, CHRNA10 NR1H2 211/4885ESR2 825/4885USP2 3358/4885

“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.