SCHEMBL7043765

SCHEMBL7043765

CCC(CC1CC2CCN1CC2)c1cccnc1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 4/20 0.54
CHRNB2 P17787 3/20 0.54
CHRNA4 P43681 3/20 0.54
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CHRNA1 P02708 1/20 0.34
CHRNB1 P11230 1/20 0.34
CHRNB4 P30926 1/20 0.34
CHRNA3 P32297 1/20 0.34
CHRNB3 Q05901 1/20 0.34

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
SCHEMBL7044258 0.84 CHRNA7 (0.57) CHRNA7CHRNB2CHRNA4CYP1A2CYP3A4
SCHEMBL12154822 0.73 CFTR (0.52) LMNASMN1; SMN2L3MBTL1
SCHEMBL31375369 0.71 CHRNA7 (1.00) CHRNA7CHRNB2CHRNA4
SCHEMBL703479 0.71 CHRNA7 (1.00) CHRNA7CHRNB2CHRNA4
SCHEMBL701677 0.70 CHRNA7 (0.49) CHRNA7CHRNB2CHRNA4SMN1; SMN2
SCHEMBL11459028 0.70 CHRNB2 (0.43) CHRNA7CHRNB2CHRNA4CYP1A2CYP2D6
SCHEMBL699563 0.69 CHRNA7 (0.74) CHRNA7CHRNB2CHRNA4
SCHEMBL699428 0.69 CHRNA7 (0.50) CHRNA7CHRNB2CHRNA4CYP1A2CYP3A4
Hydrochloric Acid SCHEMBL11612137 0.68 CHRNB2 (0.42) CHRNA7CHRNB2CHRNA4CYP1A2CYP2D6
SCHEMBL177832 0.68 CFTR (0.46) LMNASMN1; SMN2L3MBTL1

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.