SCHEMBL6491111

SCHEMBL6491111

CC(C)(C)OC(=O)N1C2C=C(c3cccnc3)CC1CC2

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 4/20 0.46
GBA1 P04062 1/20 0.41
KIT P10721 1/20 0.39
CHRNB2 P17787 4/20 0.39
CHRNA4 P43681 4/20 0.39
CHRNB4 P30926 2/20 0.39
CHRNA3 P32297 2/20 0.39
CHRNA7 P36544 2/20 0.39
CHRNB3 Q05901 2/20 0.39
CHRNA6 Q15825 2/20 0.39
CHRM2 P08172 1/20 0.39
CHRM1 P11229 1/20 0.39
CHRM3 P20309 1/20 0.39
KDM1A O60341 1/20 0.38

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
SCHEMBL12094592 1.00 GPR119 (0.46) GPR119GBA1KITCHRNB2CHRNA4
SCHEMBL7211595 0.94 GPR119 (0.45) GPR119GBA1KITCHRNB2CHRNA4
SCHEMBL2072369 0.86 GPR119 (0.43) GPR119CHRM2CHRM1CHRM3
SCHEMBL3034148 0.86 SLC6A2 (0.46) GPR119CHRM2CHRM1CHRM3
SCHEMBL13850001 0.81 GAA (0.40) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL13849977 0.81 CHRNB2 (0.41) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL24212061 0.80 CDK9 (0.42) GPR119CHRM2CHRM1CHRM3
SCHEMBL31030985 0.80 CDK9 (0.42) GPR119CHRM2CHRM1CHRM3
SCHEMBL22471536 0.79 CHRM2 (0.42) GPR119CHRM2CHRM1CHRM3
SCHEMBL24223887 0.79 CHRM2 (0.42) GPR119CHRM2CHRM1CHRM3

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
US-6897231-B2 Indazole derivatives as JNK inhibitors and compositions and methods related thereto SIGNAL PHARMACEUTICALS, INC. (US) 2005-05-24 US 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
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 GPR119 1013/4885GBA1 2315/4885KIT 3091/4885

“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.