SCHEMBL7246720

SCHEMBL7246720

CN1CC[C@@H]2CCc3ccncc3[C@@H]21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.43
CHRNB2 P17787 2/20 0.43
CHRNA4 P43681 2/20 0.43
CHRNA7 P36544 1/20 0.43
FDPS P14324 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
SCHEMBL7246721 1.00 ACHE (0.43) ACHECHRNB2CHRNA4CHRNA7FDPS
SCHEMBL29422947 1.00 ACHE (0.43) ACHECHRNB2CHRNA4CHRNA7FDPS
SCHEMBL7246724 1.00 ACHE (0.43) ACHECHRNB2CHRNA4CHRNA7FDPS
SCHEMBL7240759 0.88 ACHE (0.46) ACHE
SCHEMBL7240762 0.88 ACHE (0.46) ACHE
SCHEMBL7240765 0.88 ACHE (0.46) ACHE
SCHEMBL3819190 0.86 CHRNB2 (0.38) ACHECHRNB2CHRNA4CHRNA7
Hydrochloric Acid SCHEMBL52345 0.85 CHRNB2 (0.37) ACHECHRNB2CHRNA4CHRNA7
Hydrochloric Acid SCHEMBL3134497 0.85 CHRNB2 (0.37) ACHECHRNB2CHRNA4CHRNA7
SCHEMBL4541235 0.75 ACHE (0.39) ACHECHRNB2CHRNA4CHRNA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2003014089-A1 AMINOTETRAHYDROISOQUINOLINE DERIVATIVES AS ANALGESICS VIRGINIA COMMONWEALTH UNIVERSITY (US) 2003-02-20 WO disclosed
US-6503922-B2 Central nervous system (CNS); bridged nicotine analogs of N-octylnicotinium iodide (NONI) having selective antagonist properties at alpha 3 beta 2-containing nicotinic receptor subtypes UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION 2003-01-07 US disclosed
US-20020099069-A1 Bridged nicotine compounds for use in the treatment of CNS pathologies KENTUCKY RESEARCH FOUNDATION, UNIVERSITY OF 2002-07-25 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-20020099069-A1 Bridged nicotine compounds for use in the treatment of CNS pathologies CHRNB2, CHRNA5, CHRNA2 ACHE 94/4885CHRNB2 1/4885CHRNA4 10/4885

“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.