SCHEMBL5829462

SCHEMBL5829462

COc1ccc2cc(C3(O)CC4CCC(C3)N4C)ccc2c1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.52
SLC6A4 P31645 2/20 0.52
SLC6A3 Q01959 2/20 0.52
KDM4E B2RXH2 2/20 0.47
ALDH1A1 P00352 2/20 0.47
MEN1 O00255 1/20 0.47
LMNA P02545 1/20 0.47
GLA P06280 1/20 0.47
KMT2A Q03164 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
GPR55 Q9Y2T6 1/20 0.47
HPGD P15428 1/20 0.47
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HSD17B10 Q99714 1/20 0.47
DRD2 P14416 4/20 0.44
DRD3 P35462 4/20 0.44
HTR1A P08908 1/20 0.43

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
SCHEMBL5829461 1.00 SLC6A2 (0.52) SLC6A2SLC6A4SLC6A3KDM4EALDH1A1
SCHEMBL5193526 0.87 ALDH1A1 (0.52) SLC6A2SLC6A4SLC6A3KDM4EALDH1A1
SCHEMBL5829549 0.86 SLC6A2 (0.47) SLC6A2SLC6A4SLC6A3KDM4EALDH1A1
SCHEMBL5829547 0.86 SLC6A2 (0.47) SLC6A2SLC6A4SLC6A3KDM4EALDH1A1
SCHEMBL5830108 0.85 SLC6A2 (0.46) SLC6A2SLC6A4SLC6A3KDM4EALDH1A1
SCHEMBL5830110 0.85 SLC6A2 (0.46) SLC6A2SLC6A4SLC6A3KDM4EALDH1A1
SCHEMBL5566258 0.84 SLC6A4 (0.64) SLC6A2SLC6A4SLC6A3ALDH1A1
SCHEMBL8112358 0.84 SLC6A4 (0.63) SLC6A2SLC6A4SLC6A3DRD2DRD3
SCHEMBL6574538 0.80 GRM5 (0.43) KDM4EALDH1A1MEN1LMNAGLA
SCHEMBL2415634 0.78 BACE1 (0.43) SLC6A2SLC6A4SLC6A3KDM4EALDH1A1

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-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 SLC6A2 589/4885SLC6A4 1439/4885SLC6A3 730/4885

“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.