SCHEMBL7043487

SCHEMBL7043487

N#Cc1cncc(CC2CC3CCN2CC3)c1

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 16/20 0.55
CHRNA4 P43681 16/20 0.55
CHRNA7 P36544 4/20 0.55
GAA P10253 1/20 0.45
ALPG P10696 1/20 0.45
GFER P55789 1/20 0.45
CHRNB4 P30926 11/20 0.36
CHRNA3 P32297 11/20 0.36

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
SCHEMBL7039168 0.86 CHRNB2 (0.55) CHRNB2CHRNA4CHRNA7GAAALPG
SCHEMBL700923 0.78 CHRNB2 (0.58) CHRNB2CHRNA4CHRNA7GAAALPG
SCHEMBL7040448 0.78 CHRNB2 (0.58) CHRNB2CHRNA4CHRNA7GAAALPG
SCHEMBL7040400 0.78 CHRNA7 (0.58) CHRNB2CHRNA4CHRNA7GAAALPG
Methane SCHEMBL9568421 0.78 CHRNB2 (0.51) CHRNB2CHRNA4CHRNA7GAAALPG
SCHEMBL7045702 0.75 CHRNB2 (0.55) CHRNB2CHRNA4CHRNA7GAAALPG
SCHEMBL7042274 0.73 CHRNB2 (0.52) CHRNB2CHRNA4CHRNA7GAAALPG
SCHEMBL7047422 0.72 CHRNB2 (0.51) CHRNB2CHRNA4CHRNA7GAAALPG
SCHEMBL7045708 0.72 CHRNB2 (0.51) CHRNB2CHRNA4CHRNA7GAAALPG
SCHEMBL12255499 0.71 GBA1 (0.45) CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3

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
US-20030045523-A1 Nicotinic cholinergic receptor antagonists SCHMITT JEFFREY DANIEL (US) 2003-03-06 US disclosed
US-6432975-B1 AROMATIC ALKYLENE AZOBICYCLIC COMPOUNDS AS NICOTINIC RECEPTOR ANTAGONISTS; ANTIDEPRESSANTS; NERVOUS SYSTEM DISORDER TREATMENT TARGACEPT, INC. 2002-08-13 US disclosed
EP-1053236-A1 PYRDIYL-BRIIDGEHEAD DERIVATIVES AND THEIR ANALOGUES, PHARMACEUTICAL COMPOSITIONS AND THEIR USE AS INHIBITORS OF NICOTINIC CHOLINERGIC RECEPTORS R.J. REYNOLDS TOBACCO COMPANY (US) 2000-11-22 EP disclosed
WO-2000034276-A1 PYRIDYL-BRIDGEHEAD DERIVATIVES AND THEIR ANALOGUES, PHARMACEUTICAL COMPOSITIONS AND THEIR USE AS INHIBITORS OF NICOTINIC CHOLINERGIC RECEPTORS R.J. REYNOLDS TOBACCO COMPANY (US) 2000-06-15 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-20030045523-A1 Nicotinic cholinergic receptor antagonists CHRNG, CHRNB1, CHRNA1 CHRNB2 9/4885CHRNA4 13/4885CHRNA7 11/4885

“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.