SCHEMBL6500041

SCHEMBL6500041

CC(C)(C)OC(=O)N1C2CCC1CC(O)(c1cccnc1)C2

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.61
NPSR1 Q6W5P4 1/20 0.59
MEN1 O00255 1/20 0.59
KMT2A Q03164 1/20 0.59
HTT P42858 2/20 0.59
CYP2C19 P33261 2/20 0.58
ALDH1A1 P00352 5/20 0.54
KDM4E B2RXH2 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.50
OPRM1 P35372 1/20 0.48
OPRL1 P41146 1/20 0.48
GPR119 Q8TDV5 3/20 0.47
USP2 O75604 1/20 0.44
HSD17B10 Q99714 1/20 0.43
CHRM2 P08172 1/20 0.43
CHRM1 P11229 1/20 0.43
CHRM3 P20309 1/20 0.43
CYP17A1 P05093 1/20 0.41
CYP19A1 P11511 1/20 0.41
CYP1A2 P05177 1/20 0.41

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
SCHEMBL6500038 1.00 GAA (0.61) GAANPSR1MEN1KMT2AHTT
SCHEMBL7211590 0.95 GAA (0.56) GAANPSR1MEN1KMT2AHTT
SCHEMBL7211592 0.95 GAA (0.56) GAANPSR1MEN1KMT2AHTT
SCHEMBL2584550 0.85 CHRM2 (0.47) GAANPSR1MEN1KMT2AHTT
SCHEMBL24700590 0.85 CHRM2 (0.49) MEN1KMT2ACYP2C19ALDH1A1KDM4E
SCHEMBL12345392 0.85 CHRM2 (0.49) MEN1KMT2ACYP2C19ALDH1A1KDM4E
SCHEMBL7221812 0.84 NPSR1 (0.47) GAANPSR1MEN1KMT2AHTT
SCHEMBL5938908 0.81 GRIN2B (0.54) GAANPSR1MEN1KMT2AHTT
SCHEMBL31734922 0.81 CHRM2 (0.45) GAANPSR1MEN1KMT2AHTT
SCHEMBL8208993 0.81 CHRM2 (0.45) GAANPSR1MEN1KMT2AHTT

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 8 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 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
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
EP-0971918-A1 BICYCLIC AMINE DERIVATIVES ZENECA LIMITED (GB) 2000-01-19 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
WO-1998046600-A1 BICYCLIC AMINE DERIVATIVES ZENECA LIMITED (GB) 1998-10-22 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 GAA 4391/4885NPSR1 189/4885MEN1 4860/4885

“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.