SCHEMBL7043558

SCHEMBL7043558

OC1CC2CCN(C2)C1Cc1cccnc1

nearest known ligand 0.62

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 13/20 0.62
CHRNB2 P17787 8/20 0.59
CHRNA4 P43681 8/20 0.59
CHRNB4 P30926 2/20 0.47
CHRNA3 P32297 2/20 0.47

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
SCHEMBL701126 0.81 CHRNA7 (0.83) CHRNA7CHRNB2CHRNA4
SCHEMBL12063279 0.81 CHRNA7 (0.83) CHRNA7CHRNB2CHRNA4
SCHEMBL7045728 0.80 CHRNA7 (0.85) CHRNA7CHRNB2CHRNA4
SCHEMBL701068 0.77 CHRNA7 (0.72) CHRNA7CHRNB2CHRNA4
SCHEMBL701302 0.77 CHRNA7 (1.00) CHRNA7CHRNB2CHRNA4
SCHEMBL31375368 0.77 CHRNA7 (1.00) CHRNA7CHRNB2CHRNA4
SCHEMBL26748340 0.77 CHRNA7 (1.00) CHRNA7CHRNB2CHRNA4
SCHEMBL699884 0.77 CHRNA7 (1.00) CHRNA7CHRNB2CHRNA4
SCHEMBL699598 0.77 CHRNA7 (1.00) CHRNA7CHRNB2CHRNA4
SCHEMBL703479 0.75 CHRNA7 (1.00) CHRNA7CHRNB2CHRNA4

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.