SCHEMBL5829675

SCHEMBL5829675

CN1C2C=C(c3ncc(Cl)cn3)CC1CC2

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 5/20 0.47
SLC6A4 P31645 5/20 0.47
SLC6A3 Q01959 5/20 0.47
HTR6 P50406 1/20 0.46
ALDH1A1 P00352 1/20 0.36
OPRM1 P35372 2/20 0.35
OPRD1 P41143 2/20 0.35
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35
KMT2A Q03164 1/20 0.35
CHRNB2 P17787 1/20 0.33
CHRNA4 P43681 1/20 0.33
CHRNA7 P36544 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31

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
SCHEMBL5829724 0.85 SLC6A2 (0.47) SLC6A2SLC6A4SLC6A3HTR6
SCHEMBL8208017 0.75 SLC6A2 (0.52) SLC6A2SLC6A4SLC6A3HTR6CHRNB2
SCHEMBL5829740 0.75 SLC6A2 (0.44) SLC6A2SLC6A4SLC6A3HTR6ALDH1A1
SCHEMBL1021888 0.75 SLC6A2 (0.58) SLC6A2SLC6A4SLC6A3HTR6ALDH1A1
SCHEMBL5830280 0.74 SLC6A2 (0.43) SLC6A2SLC6A4SLC6A3HTR6CHRNB2
SCHEMBL5829673 0.74 SLC6A2 (0.43) SLC6A2SLC6A4SLC6A3HTR6CHRNB2
SCHEMBL5829725 0.74 HTR6 (0.51) SLC6A2SLC6A4SLC6A3HTR6ALDH1A1
Hydrochloric Acid SCHEMBL1023293 0.74 SLC6A2 (0.57) SLC6A2SLC6A4SLC6A3HTR6ALDH1A1
SCHEMBL5830071 0.74 SLC6A2 (0.45) SLC6A2SLC6A4SLC6A3HTR6ALDH1A1
SCHEMBL5829737 0.74 SLC6A2 (0.45) SLC6A2SLC6A4SLC6A3HTR6ALDH1A1

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 10 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-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
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.