SCHEMBL5829152

SCHEMBL5829152

CN1C2C=C(c3ccc4ccscc3-4)CC1CC2

nearest known ligand 0.61

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 10/20 0.61
SLC6A4 P31645 10/20 0.61
SLC6A3 Q01959 10/20 0.61
HTR6 P50406 1/20 0.37
NOS3 P29474 1/20 0.37
NOS1 P29475 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
SCHEMBL5829819 0.90 SLC6A2 (0.61) SLC6A2SLC6A4SLC6A3HTR6NOS3
SCHEMBL6504282 0.85 SLC6A4 (0.56) SLC6A2SLC6A4SLC6A3HTR6NOS3
Hydrochloric Acid SCHEMBL6502514 0.83 SLC6A4 (0.55) SLC6A2SLC6A4SLC6A3HTR6NOS3
SCHEMBL5830055 0.76 SLC6A2 (0.61) SLC6A2SLC6A4SLC6A3HTR6NOS3
SCHEMBL5828950 0.74 SLC6A2 (0.61) SLC6A2SLC6A4SLC6A3HTR6NOS3
SCHEMBL7809824 0.71 SLC6A3 (0.60) SLC6A2SLC6A4SLC6A3HTR6
SCHEMBL1335541 0.70 SLC6A4 (0.58) SLC6A2SLC6A4SLC6A3HTR6
SCHEMBL1021888 0.70 SLC6A2 (0.58) SLC6A2SLC6A4SLC6A3HTR6
SCHEMBL7806031 0.69 SLC6A4 (0.80) SLC6A2SLC6A4SLC6A3HTR6
Hydrochloric Acid SCHEMBL1023293 0.69 SLC6A2 (0.57) SLC6A2SLC6A4SLC6A3HTR6

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 9 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 claimed
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-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 claimed
US-20020035122-A1 8-azabicyclo[3.2.1]oct-2-ene and -octane derivatives ANIONA APS (DK) 2002-03-21 US 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-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

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.