SCHEMBL7042385

SCHEMBL7042385

Brc1cccc(CC2CC3CCN2CC3)c1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 3/20 0.56
CHRNA4 P43681 3/20 0.56
GAA P10253 1/20 0.56
ALPG P10696 1/20 0.56
GFER P55789 1/20 0.56
CHRNA7 P36544 1/20 0.56
MBTD1 Q05BQ5 1/20 0.47
L3MBTL3 Q96JM7 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
TAAR1 Q96RJ0 1/20 0.39
CARM1 Q86X55 1/20 0.39
PRMT6 Q96LA8 1/20 0.39
PRMT8 Q9NR22 1/20 0.39
SIGMAR1 Q99720 1/20 0.38

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
SCHEMBL1950614 0.89 CHRNB2 (0.64) CHRNB2CHRNA4GAAALPGGFER
SCHEMBL7039965 0.81 CHRNB2 (0.56) CHRNB2CHRNA4GAAALPGGFER
SCHEMBL27887041 0.81 CHRNB2 (0.56) CHRNB2CHRNA4GAAALPGGFER
SCHEMBL7045470 0.80 GAA (0.58) CHRNB2CHRNA4GAAALPGGFER
SCHEMBL8740662 0.80 CHRNB2 (0.66) CHRNB2CHRNA4GAAALPGGFER
SCHEMBL1950993 0.77 GAA (0.67) CHRNB2CHRNA4GAAALPGGFER
SCHEMBL700923 0.77 CHRNB2 (0.58) CHRNB2CHRNA4GAAALPGGFER
Methane SCHEMBL9568421 0.77 CHRNB2 (0.51) CHRNB2CHRNA4GAAALPGGFER
SCHEMBL29343614 0.73 SMN1; SMN2 (0.49) MBTD1L3MBTL3SMN1; SMN2TDP1CARM1
SCHEMBL24187547 0.72 TAAR1 (0.48) MBTD1L3MBTL3SMN1; SMN2TDP1TAAR1

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 13/4885GAA 2384/4885

“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.