SCHEMBL5767460

SCHEMBL5767460

O=[N+]([O-])c1cc2c(cc1[N+](=O)[O-])C1CCC2CNC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB4 P30926 8/20 0.51
CHRNA3 P32297 8/20 0.51
CHRNB2 P17787 12/20 0.41
CHRNA4 P43681 12/20 0.41
CYP3A4 P08684 2/20 0.38
TSHR P16473 2/20 0.38
LMNA P02545 2/20 0.38
GRIN2D O15399 1/20 0.38
GRIN3B O60391 1/20 0.38
CYP1A2 P05177 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
GRIK1 P39086 1/20 0.38
GRIA1 P42261 1/20 0.38
GRIA2 P42262 1/20 0.38
GRIA3 P42263 1/20 0.38
GRIA4 P48058 1/20 0.38
BLM P54132 1/20 0.38
GRIN1 Q05586 1/20 0.38
GRIN2A Q12879 1/20 0.38

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
SCHEMBL14668105 0.89 CHRNB4 (0.65) CHRNB4CHRNA3CHRNB2CHRNA4CHRNA1
SCHEMBL4407178 0.89 CHRNB4 (0.65) CHRNB4CHRNA3CHRNB2CHRNA4CHRNA1
SCHEMBL5769693 0.79 CHRNB4 (0.82) CHRNB4CHRNA3CHRNB2CHRNA4TSHR
SCHEMBL29761229 0.78 CHRNB4 (0.56) CHRNB4CHRNA3CHRNB2CHRNA4CYP3A4
SCHEMBL14668759 0.78 CHRNB4 (0.56) CHRNB4CHRNA3CHRNB2CHRNA4CYP3A4
SCHEMBL4712350 0.78 CHRNB4 (0.56) CHRNB4CHRNA3CHRNB2CHRNA4CYP3A4
Hydrochloric Acid SCHEMBL6392984 0.78 CHRNB4 (0.82) CHRNB4CHRNA3CHRNB2CHRNA4TSHR
SCHEMBL14364782 0.74 CHRNB4 (0.41) CHRNB4CHRNA3CYP3A4TSHRLMNA
SCHEMBL14003853 0.74 CHRNB4 (0.41) CHRNB4CHRNA3CYP3A4TSHRLMNA
SCHEMBL227751 0.70 SLC6A2 (0.47) CHRNB2CHRNA4MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1648872-A2 ARYL FUSED AZAPOLYCYCLIC COMPOUNDS Pfizer Products Inc. (US) 2006-04-26 EP claimed
WO-2005007630-A2 ARYL FUSED AZAPOLYCYCLIC COMPOUNDS PFIZER PRODUCTS INC. (US) 2005-01-27 WO claimed
US-20050020616-A1 Aryl fused azapolycyclic compounds PFIZER INC 2005-01-27 US claimed
US-20050020616-A1 Aryl fused azapolycyclic compounds PFIZER INC 2005-01-27 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-20050020616-A1 Aryl fused azapolycyclic compounds GRIN2C, GRIN2A, GRIN2B CHRNB4 356/4885CHRNA3 152/4885CHRNB2 249/4885

“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.