SCHEMBL5769693

SCHEMBL5769693

O=[N+]([O-])c1ccc2c(c1)C1CCC2CNC1

nearest known ligand 0.82

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRNB4 P30926 5/20 0.82
CHRNA3 P32297 5/20 0.82
CHRNB2 P17787 7/20 0.57
CHRNA4 P43681 7/20 0.57
HSP90AA1 P07900 1/20 0.49
LMNA P02545 1/20 0.42
TSHR P16473 1/20 0.42
ADRA2A P08913 1/20 0.41
PNMT P11086 1/20 0.41
NOS3 P29474 2/20 0.40
NOS1 P29475 2/20 0.40
NOS2 P35228 2/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40

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
Hydrochloric Acid SCHEMBL6392984 0.98 CHRNB4 (0.82) CHRNB4CHRNA3CHRNB2CHRNA4HSP90AA1
SCHEMBL29761230 0.90 CHRNB4 (1.00) CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL2062764 0.90 CHRNB4 (1.00) CHRNB4CHRNA3CHRNB2CHRNA4
Hydrochloric Acid SCHEMBL4405952 0.89 CHRNB4 (1.00) CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL28092025 0.88 CHRNB4 (0.67) CHRNB4CHRNA3CHRNB2CHRNA4HSP90AA1
SCHEMBL3128684 0.84 CHRNB4 (0.73) CHRNB4CHRNA3CHRNB2CHRNA4HSP90AA1
SCHEMBL3445922 0.79 CHRNB4 (0.66) CHRNB4CHRNA3CHRNB2CHRNA4HSP90AA1
SCHEMBL5767460 0.79 CHRNB4 (0.51) CHRNB4CHRNA3CHRNB2CHRNA4LMNA
SCHEMBL24125416 0.79 CHRNB4 (0.65) CHRNB4CHRNA3CHRNB2CHRNA4HSP90AA1
SCHEMBL31406462 0.79 CHRNB4 (0.65) CHRNB4CHRNA3CHRNB2CHRNA4HSP90AA1

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.