SCHEMBL5829491

SCHEMBL5829491

CC(=O)Oc1ccc2cc(C3=CC4CCC(C3)N4C)ccc2c1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 5/20 0.51
SLC6A3 Q01959 5/20 0.51
SLC6A2 P23975 4/20 0.51
OPRM1 P35372 1/20 0.38
HTR1A P08908 1/20 0.38
KDM4E B2RXH2 1/20 0.37
GLA P06280 1/20 0.37
KMT2A Q03164 1/20 0.37
CA12 O43570 1/20 0.37
CA9 Q16790 1/20 0.37

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
SCHEMBL5829493 1.00 SLC6A4 (0.51) SLC6A4SLC6A3SLC6A2OPRM1HTR1A
SCHEMBL1022681 0.84 SLC6A4 (0.56) SLC6A4SLC6A3SLC6A2HTR1AKDM4E
SCHEMBL1022680 0.84 SLC6A4 (0.56) SLC6A4SLC6A3SLC6A2HTR1AKDM4E
Hydrochloric Acid SCHEMBL1022164 0.83 SLC6A4 (0.55) SLC6A4SLC6A3SLC6A2HTR1AKDM4E
SCHEMBL5829784 0.81 SLC6A2 (0.53) SLC6A4SLC6A3SLC6A2HTR1A
SCHEMBL5829872 0.80 SLC6A2 (0.58) SLC6A4SLC6A3SLC6A2HTR1A
SCHEMBL5829706 0.80 SLC6A4 (0.52) SLC6A4SLC6A3SLC6A2HTR1A
SCHEMBL1021480 0.80 SLC6A3 (0.68) SLC6A4SLC6A3SLC6A2HTR1A
SCHEMBL1021477 0.80 SLC6A3 (0.68) SLC6A4SLC6A3SLC6A2HTR1A
SCHEMBL5829732 0.78 SLC6A4 (0.50) SLC6A4SLC6A3SLC6A2HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040116703-A1 8-Azabicyclo[3.2.1]oct-2-ene and -octane derivatives technical field NEUROSEARCH A/S 2004-06-17 US claimed
EP-1133494-B1 8-AZABICYCLO 3.2.1]OCT-2-ENE AND -OCTANE DERIVATIVES NEUROSEARCH AS (DK) 2004-02-18 EP claimed
US-6680328-B2 CHOLINERGIC LIGANDS OF NICOTINIC ACETYL CHOLINE RECEPTORS FOR TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS, SMOOTH MUSCLE CONTRACTION DISORDERS, ENDOCRINE DISEASES/DISORDERS, NEURODEGENERATION, INFLAMMATION, PAIN, AND DRUG WITHDRAWAL NEUROSEARCH A/S (DK) 2004-01-20 US claimed
US-20020035122-A1 8-azabicyclo[3.2.1]oct-2-ene and -octane derivatives ANIONA APS (DK) 2002-03-21 US claimed
EP-1133494-A1 8-AZABICYCLO 3.2.1]OCT-2-ENE AND -OCTANE DERIVATIVES NEUROSEARCH A/S (DK) 2001-09-19 EP claimed
WO-2000032600-A1 8-AZABICYCLO[3.2.1]OCT-2-ENE AND -OCTANE DERIVATIVES NEUROSEARCH A/S (DK) 2000-06-08 WO claimed
US-7045522-B2 8-Azabicyclo[3.2.1]oct-2-ene and -octane derivatives technical field NEUROSEARCH A/S (DK) 2006-05-16 US disclosed
US-20040116703-A1 8-Azabicyclo[3.2.1]oct-2-ene and -octane derivatives technical field NEUROSEARCH A/S 2004-06-17 US disclosed
EP-1133494-B1 8-AZABICYCLO 3.2.1]OCT-2-ENE AND -OCTANE DERIVATIVES NEUROSEARCH AS (DK) 2004-02-18 EP disclosed
EP-1382605-A2 8-azabicyclo(3.2.1)oct-2-ene derivatives and their use as nAChR ligands NEUROSEARCH A/S (DK) 2004-01-21 EP disclosed
US-6680328-B2 CHOLINERGIC LIGANDS OF NICOTINIC ACETYL CHOLINE RECEPTORS FOR TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS, SMOOTH MUSCLE CONTRACTION DISORDERS, ENDOCRINE DISEASES/DISORDERS, NEURODEGENERATION, INFLAMMATION, PAIN, AND DRUG WITHDRAWAL NEUROSEARCH A/S (DK) 2004-01-20 US disclosed
US-20020035122-A1 8-azabicyclo[3.2.1]oct-2-ene and -octane derivatives ANIONA APS (DK) 2002-03-21 US disclosed
EP-1133494-A1 8-AZABICYCLO 3.2.1]OCT-2-ENE AND -OCTANE DERIVATIVES NEUROSEARCH A/S (DK) 2001-09-19 EP disclosed
WO-2000032600-A1 8-AZABICYCLO[3.2.1]OCT-2-ENE AND -OCTANE DERIVATIVES NEUROSEARCH A/S (DK) 2000-06-08 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-20020035122-A1 8-azabicyclo[3.2.1]oct-2-ene and -octane derivatives CHRNA2, CHRNA7, CHRNA10 SLC6A4 1439/4885SLC6A3 730/4885SLC6A2 589/4885

“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.