SCHEMBL7044258

SCHEMBL7044258

CC(CC1CC2CCN1CC2)c1cccnc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 6/20 0.57
CHRNB2 P17787 3/20 0.57
CHRNA4 P43681 3/20 0.57
AGTR2 P50052 1/20 0.39
CYP17A1 P05093 3/20 0.38
CYP19A1 P11511 3/20 0.38
CHRM2 P08172 1/20 0.38
CHRM4 P08173 1/20 0.38
CHRM5 P08912 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
CHRNA1 P02708 1/20 0.36
CHRNB1 P11230 1/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
CHRNB3 Q05901 1/20 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
SCHEMBL7043765 0.84 CHRNA7 (0.54) CHRNA7CHRNB2CHRNA4CYP1A2CYP3A4
SCHEMBL31375369 0.73 CHRNA7 (1.00) CHRNA7CHRNB2CHRNA4
SCHEMBL703479 0.73 CHRNA7 (1.00) CHRNA7CHRNB2CHRNA4
SCHEMBL701677 0.72 CHRNA7 (0.49) CHRNA7CHRNB2CHRNA4
SCHEMBL26804786 0.72 CYP3A4 (0.35) AGTR2CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL11459028 0.71 CHRNB2 (0.43) CHRNA7CHRNB2CHRNA4CYP19A1CYP1A2
SCHEMBL699428 0.70 CHRNA7 (0.50) CHRNA7CHRNB2CHRNA4CYP17A1CYP19A1
SCHEMBL699563 0.70 CHRNA7 (0.74) CHRNA7CHRNB2CHRNA4
Hydrochloric Acid SCHEMBL11612137 0.70 CHRNB2 (0.42) CHRNA7CHRNB2CHRNA4CYP1A2CYP2D6
Hydrochloric Acid SCHEMBL7047408 0.69 CHRNA7 (0.72) 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.