SCHEMBL3229549

SCHEMBL3229549

Cc1ccc(O[C@H]2CN3CCC2CC3)cc1

nearest known ligand 0.68

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.68
CYP1A2 P05177 1/20 0.57
CYP2D6 P10635 1/20 0.57
LSS P48449 1/20 0.57
ALDH1A1 P00352 1/20 0.45
CHRM1 P11229 1/20 0.45

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
SCHEMBL3229552 1.00 CHRNA7 (0.68) CHRNA7CYP1A2CYP2D6LSSALDH1A1
SCHEMBL13444725 0.95 CHRNA7 (0.71) CHRNA7CYP1A2CYP2D6LSSALDH1A1
SCHEMBL5396665 0.89 CHRNA7 (0.64) CHRNA7CYP1A2CYP2D6LSSALDH1A1
SCHEMBL6941982 0.86 LSS (0.57) CHRNA7LSSCHRM1
SCHEMBL5390772 0.86 LSS (0.60) CHRNA7LSS
SCHEMBL3215152 0.83 LSS (0.78) CHRNA7LSSALDH1A1
SCHEMBL2323165 0.83 LSS (0.57) CHRNA7LSS
SCHEMBL1849257 0.83 LSS (0.57) CHRNA7LSSCHRM1
SCHEMBL1542743 0.83 LSS (0.57) CHRNA7LSS
SCHEMBL5652779 0.83 LSS (0.57) CHRNA7LSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7674794-B2 Fused bicycloheterocycle substituted quinuclidine derivatives ABBOTT LABORATORIES (US) 2010-03-09 US disclosed
US-20100056565-A1 Heterocyclic Derivatives as M3 Muscarinic Receptors ARGENTA DISCOVERY LIMITED (GB) 2010-03-04 US disclosed
EP-2121688-A1 HETEROCYCLIC DERIVATIVES AS M3 MUSCARINIC RECEPTORS Argenta Discovery Ltd (GB) 2009-11-25 EP disclosed
WO-2008099186-A1 HETEROCYCLIC DERIVATIVES AS M3 MUSCARINIC RECEPTORS ARGENTA DISCOVERY LIMITED (GB) 2008-08-21 WO disclosed
US-20070066592-A1 Fused bicycloheterocycle substituted quinuclidine derivatives ABBVIE INC. 2007-03-22 US disclosed
US-20070060588-A1 Fused bicycloheterocycle substituted quinuclidine derivatives ABBOTT LABORATORIES 2007-03-15 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 (3 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-20070060588-A1 Fused bicycloheterocycle substituted quinuclidine derivatives CHRNA1, CHRNA7, CHRNA2 CHRNA7 2/4885CYP1A2 265/4885CYP2D6 892/4885
US-20100056565-A1 Heterocyclic Derivatives as M3 Muscarinic Receptors CHRM2, CHRM3, CHRM1 CHRNA7 13/4885CYP1A2 603/4885CYP2D6 616/4885
US-20070066592-A1 Fused bicycloheterocycle substituted quinuclidine derivatives CHRNA1, CHRNA7, CHRNA2 CHRNA7 2/4885CYP1A2 266/4885CYP2D6 899/4885

“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.