SCHEMBL6489917

SCHEMBL6489917

CN1C2CCC1CC(c1cccnc1)C2

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.59
OPRL1 P41146 1/20 0.59
CYP11B2 P19099 1/20 0.54
CHRNA7 P36544 3/20 0.50
CHRNB2 P17787 3/20 0.50
CHRNA4 P43681 3/20 0.50
ALDH1A1 P00352 2/20 0.50
CHRNB4 P30926 2/20 0.50
CHRNA3 P32297 2/20 0.50
CHRNA2 Q15822 2/20 0.50
LMNA P02545 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
HTR3E A5X5Y0 1/20 0.50
PSIP1 O75475 1/20 0.50
TRPA1 O75762 1/20 0.50
HTR3B O95264 1/20 0.50
CHRNA1 P02708 1/20 0.50
CHRNG P07510 1/20 0.50
MAPT P10636 1/20 0.50
CHRNB1 P11230 1/20 0.50

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
SCHEMBL6489913 1.00 OPRM1 (0.59) OPRM1OPRL1CYP11B2CHRNA7CHRNB2
Hydrochloric Acid SCHEMBL6500222 0.98 OPRM1 (0.58) OPRM1OPRL1CYP11B2CHRNA7CHRNB2
Hydrochloric Acid SCHEMBL6500218 0.98 OPRM1 (0.58) OPRM1OPRL1CYP11B2CHRNA7CHRNB2
SCHEMBL7210361 0.94 CYP11B2 (0.56) OPRM1OPRL1CYP11B2CHRNA7CHRNB2
SCHEMBL7720464 0.94 CYP11B2 (0.56) OPRM1OPRL1CYP11B2CHRNA7CHRNB2
SCHEMBL8036171 0.81 CHRNB2 (0.66) CHRNA7CHRNB2CHRNA4CHRNA3
SCHEMBL12533759 0.80 CYP11B2 (0.67) OPRM1OPRL1CYP11B2CHRNA7CHRNB2
SCHEMBL12533764 0.80 CYP11B2 (0.67) OPRM1OPRL1CYP11B2CHRNA7CHRNB2
SCHEMBL12533763 0.80 CYP11B2 (0.67) OPRM1OPRL1CYP11B2CHRNA7CHRNB2
SCHEMBL12533767 0.80 CYP11B2 (0.67) OPRM1OPRL1CYP11B2CHRNA7CHRNB2

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040019207-A1 Amines such as 8-Benzyl-3-(3-pyridyl)-8-azabicyclo(3.2.1) oct-2-ene, that bind to nicotinic acetocholine receptors, used for prophylaxis of nervous system disorders, as analgesis, antiinflammatory agents and drug abuse NEUROSEARCH A/S 2004-01-29 US claimed
US-6645977-B1 Amines such as 8-Methyl-3-(3-pyridyl)-8-azabicyclo(3.2.1)-oct-2-ene, administered to humans or animals for prophylaxis of drug abuse or drug dependence NEUROSEARCH A/S (DK) 2003-11-11 US claimed
EP-0984965-A1 8-AZABICYCLO(3,2,1)OCT-2-ENE AND OCTANE DERIVATIVES AS CHOLINERGIC LIGANDS AT NICOTINIC ACH RECEPTORS NEUROSEARCH A/S (DK) 2000-03-15 EP claimed
WO-1998054181-A1 8-AZABICYCLO(3,2,1)OCT-2-ENE AND OCTANE DERIVATIVES AS CHOLINERGIC LIGANDS AT NICOTINIC ACH RECEPTORS NEUROSEARCH A/S (DK) 1998-12-03 WO claimed
US-6964972-B2 8-Azabicyclo(3,2,1)oct-2 ene and octane derivatives as cholinergic ligands at nicotinic ACh receptors NEUROSEARCH A/S (DK) 2005-11-15 US disclosed
US-20040019207-A1 Amines such as 8-Benzyl-3-(3-pyridyl)-8-azabicyclo(3.2.1) oct-2-ene, that bind to nicotinic acetocholine receptors, used for prophylaxis of nervous system disorders, as analgesis, antiinflammatory agents and drug abuse NEUROSEARCH A/S 2004-01-29 US disclosed
US-6645977-B1 Amines such as 8-Methyl-3-(3-pyridyl)-8-azabicyclo(3.2.1)-oct-2-ene, administered to humans or animals for prophylaxis of drug abuse or drug dependence NEUROSEARCH A/S (DK) 2003-11-11 US disclosed
EP-0984965-A1 8-AZABICYCLO(3,2,1)OCT-2-ENE AND OCTANE DERIVATIVES AS CHOLINERGIC LIGANDS AT NICOTINIC ACH RECEPTORS NEUROSEARCH A/S (DK) 2000-03-15 EP disclosed
WO-1998054181-A1 8-AZABICYCLO(3,2,1)OCT-2-ENE AND OCTANE DERIVATIVES AS CHOLINERGIC LIGANDS AT NICOTINIC ACH RECEPTORS NEUROSEARCH A/S (DK) 1998-12-03 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-20040019207-A1 Amines such as 8-Benzyl-3-(3-pyridyl)-8-azabicyclo(3.2.1) oct-2-ene, that bind to nicotinic acetocholine receptors, used for prophylaxis of nervous system disorders, as analgesis, antiinflammatory agents and drug abuse OPRL1, OPRK1, OPRM1 OPRM1 3/4885OPRL1 1/4885CYP11B2 1397/4885

“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.