SCHEMBL6502156

SCHEMBL6502156

CN1C2C=C(c3sc4ccccc4c3Br)CC1CC2

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 5/20 0.50
SLC6A4 P31645 5/20 0.50
SLC6A3 Q01959 5/20 0.50
HTR6 P50406 1/20 0.38
NOS3 P29474 1/20 0.34
NOS1 P29475 1/20 0.34
SIGMAR1 Q99720 1/20 0.33
KDM4E B2RXH2 1/20 0.31
GLA P06280 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL6490964 0.74 SLC6A4 (0.58) SLC6A2SLC6A4SLC6A3HTR6NOS3
SCHEMBL6709876 0.74 SLC6A4 (0.58) SLC6A2SLC6A4SLC6A3HTR6NOS3
SCHEMBL3062713 0.74 SLC6A4 (0.52) SLC6A2SLC6A4SLC6A3HTR6NOS3
SCHEMBL6489111 0.74 SLC6A2 (0.53) SLC6A2SLC6A4SLC6A3HTR6NOS3
Hydrochloric Acid SCHEMBL5107087 0.73 SLC6A2 (0.51) SLC6A2SLC6A4SLC6A3HTR6NOS3
SCHEMBL3056057 0.73 SLC6A2 (0.46) SLC6A2SLC6A4SLC6A3HTR6NOS3
SCHEMBL6489115 0.72 SLC6A2 (0.51) SLC6A2SLC6A4SLC6A3HTR6NOS3
SCHEMBL5829353 0.72 SLC6A2 (0.48) SLC6A2SLC6A4SLC6A3HTR6NOS3
SCHEMBL3062717 0.72 SLC6A4 (0.53) SLC6A2SLC6A4SLC6A3HTR6NOS3
SCHEMBL5829586 0.72 SLC6A4 (0.69) SLC6A2SLC6A4SLC6A3HTR6NOS3

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-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 claimed
EP-0984965-B1 8-AZABICYCLO(3,2,1)OCT-2-ENE AND OCTANE DERIVATIVES AS CHOLINERGIC LIGANDS AT NICOTINIC ACH RECEPTORS NEUROSEARCH AS (DK) 2004-05-19 EP claimed
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
EP-0984965-B1 8-AZABICYCLO(3,2,1)OCT-2-ENE AND OCTANE DERIVATIVES AS CHOLINERGIC LIGANDS AT NICOTINIC ACH RECEPTORS NEUROSEARCH AS (DK) 2004-05-19 EP 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

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 SLC6A2 266/4885SLC6A4 1051/4885SLC6A3 306/4885

“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.