SCHEMBL6491789

SCHEMBL6491789

COc1ccccc1C1=CC2CCC(C1)N2C

nearest known ligand 0.66

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 6/20 0.66
SLC6A2 P23975 5/20 0.66
SLC6A3 Q01959 5/20 0.66
HTR1A P08908 1/20 0.43
CCNT1 O60563 1/20 0.43
CDK9 P50750 1/20 0.43
CHRM2 P08172 1/20 0.40
CHRM4 P08173 1/20 0.40
CHRM5 P08912 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRM3 P20309 1/20 0.40
KDM4E B2RXH2 1/20 0.40
GLA P06280 1/20 0.40
KMT2A Q03164 1/20 0.40
HTR6 P50406 1/20 0.39
PTGS2 P35354 1/20 0.39

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
SCHEMBL6491784 1.00 SLC6A4 (0.66) SLC6A4SLC6A2SLC6A3HTR1ACCNT1
SCHEMBL8207336 0.81 SLC6A4 (0.71) SLC6A4SLC6A2SLC6A3HTR1AHTR6
SCHEMBL5829586 0.79 SLC6A4 (0.69) SLC6A4SLC6A2SLC6A3CHRM4CHRM5
SCHEMBL1020818 0.79 SLC6A2 (0.69) SLC6A4SLC6A2SLC6A3HTR1AKMT2A
SCHEMBL1020817 0.79 SLC6A2 (0.69) SLC6A4SLC6A2SLC6A3HTR1AKMT2A
SCHEMBL5829683 0.79 SLC6A4 (0.69) SLC6A4SLC6A2SLC6A3HTR1AKMT2A
SCHEMBL1335775 0.79 SLC6A4 (0.48) SLC6A4SLC6A2SLC6A3HTR1ACCNT1
SCHEMBL1335773 0.79 SLC6A4 (0.48) SLC6A4SLC6A2SLC6A3HTR1ACCNT1
SCHEMBL6499524 0.79 SLC6A4 (0.47) SLC6A4SLC6A2SLC6A3HTR1ACCNT1
Hydrochloric Acid SCHEMBL1023640 0.78 SLC6A2 (0.68) SLC6A4SLC6A2SLC6A3HTR1AKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 SLC6A4 1051/4885SLC6A2 266/4885SLC6A3 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.