SCHEMBL7041925

SCHEMBL7041925

Clc1ccc(CC2CC3CCN2CC3)cn1

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 3/20 0.60
CHRNB2 P17787 2/20 0.60
CHRNA4 P43681 2/20 0.60
GAA P10253 1/20 0.52
ALPG P10696 1/20 0.52
GFER P55789 1/20 0.52
ALDH1A1 P00352 1/20 0.46
TRPA1 O75762 1/20 0.42
CHRNA1 P02708 2/20 0.41
CHRNA3 P32297 2/20 0.41
KMT2A Q03164 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
SCHEMBL7045597 0.83 CHRNB2 (0.58) CHRNA7CHRNB2CHRNA4GAAALPG
SCHEMBL7040193 0.83 CHRNB2 (0.58) CHRNA7CHRNB2CHRNA4GAAALPG
SCHEMBL7043931 0.83 CHRNB2 (0.62) CHRNA7CHRNB2CHRNA4GAAALPG
SCHEMBL704736 0.83 CHRNB2 (0.58) CHRNA7CHRNB2CHRNA4GAAALPG
SCHEMBL1950993 0.81 GAA (0.67) CHRNA7CHRNB2CHRNA4GAAALPG
SCHEMBL7667695 0.76 CHRNB2 (0.51) CHRNA7CHRNB2CHRNA4GAAALPG
SCHEMBL31375369 0.75 CHRNA7 (1.00) CHRNA7CHRNB2CHRNA4GAAALPG
SCHEMBL703479 0.75 CHRNA7 (1.00) CHRNA7CHRNB2CHRNA4GAAALPG
SCHEMBL7045470 0.73 GAA (0.58) CHRNA7CHRNB2CHRNA4GAAALPG
SCHEMBL27887177 0.73 GAA (0.58) CHRNA7CHRNB2CHRNA4GAAALPG

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 CHRNA7 11/4885CHRNB2 9/4885CHRNA4 13/4885

“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.