SCHEMBL7045470

SCHEMBL7045470

Brc1ccc(CC2CC3CCN2CC3)cc1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.58
ALPG P10696 1/20 0.58
GFER P55789 1/20 0.58
CHRNB2 P17787 2/20 0.54
CHRNA4 P43681 2/20 0.54
CHRNA7 P36544 1/20 0.54
CCR3 P51677 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
SLC6A2 P23975 2/20 0.35
SLC6A4 P31645 2/20 0.35

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
SCHEMBL1950993 0.91 GAA (0.67) GAAALPGGFERCHRNB2CHRNA4
SCHEMBL27887177 0.82 GAA (0.58) GAAALPGGFERCHRNB2CHRNA4
SCHEMBL7041910 0.82 GFER (0.58) GAAALPGGFERCHRNB2CHRNA4
SCHEMBL8740662 0.81 CHRNB2 (0.66) GAAALPGGFERCHRNB2CHRNA4
SCHEMBL7042385 0.80 CHRNB2 (0.56) GAAALPGGFERCHRNB2CHRNA4
SCHEMBL704736 0.79 CHRNB2 (0.58) GAAALPGGFERCHRNB2CHRNA4
SCHEMBL27901892 0.79 CHRNB2 (0.67) GAAALPGGFERCHRNB2CHRNA4
Hydrochloric Acid SCHEMBL8864197 0.78 GAA (0.57) GAAALPGGFERCHRNB2CHRNA4
SCHEMBL1950614 0.76 CHRNB2 (0.64) GAAALPGGFERCHRNB2CHRNA4
SCHEMBL700923 0.76 CHRNB2 (0.58) GAAALPGGFERCHRNB2CHRNA4

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 GAA 2384/4885ALPG 3710/4885GFER 828/4885

“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.