SCHEMBL3218495

SCHEMBL3218495

c1ccc(O[C@H]2CN3CCC2CC3)cc1

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LSS P48449 1/20 0.56
CHRNA7 P36544 2/20 0.53
BCHE P06276 1/20 0.53
ACHE P22303 1/20 0.53
CHRM2 P08172 2/20 0.52
CHRM1 P11229 2/20 0.52
CHRM3 P20309 2/20 0.52
CHRM4 P08173 1/20 0.52
CHRM5 P08912 1/20 0.52

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
SCHEMBL3218661 1.00 LSS (0.56) LSSCHRNA7BCHEACHECHRM2
SCHEMBL3218491 1.00 LSS (0.56) LSSCHRNA7BCHEACHECHRM2
SCHEMBL5403372 0.93 LSS (0.55) LSSCHRNA7BCHEACHECHRM2
SCHEMBL5390767 0.93 LSS (0.55) LSSCHRNA7BCHEACHECHRM2
SCHEMBL5396813 0.93 LSS (0.55) LSSCHRNA7BCHEACHECHRM2
Hydrochloric Acid SCHEMBL5653334 0.92 LSS (0.53) LSSCHRNA7BCHEACHECHRM2
Hydrochloric Acid SCHEMBL5653510 0.92 LSS (0.53) LSSCHRNA7BCHEACHECHRM2
Hydrochloric Acid SCHEMBL5652765 0.92 LSS (0.53) LSSCHRNA7BCHEACHECHRM2
SCHEMBL4204692 0.90 LSS (0.55) LSSCHRNA7
SCHEMBL5404060 0.87 CHRNA7 (0.52) LSSCHRNA7BCHEACHECHRM2

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 17 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
US-7655657-B2 Fused bicycloheterocycle substituted quinuclidine derivatives ABBOTT LABORATORIES (US) 2010-02-02 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-20080064703-A1 Fused bicycloheterocycle substituted quinuclidine derivatives ABBVIE INC. 2008-03-13 US disclosed
US-7309699-B2 3-Quinuclidinyl amino-substituted biaryl derivatives ABBOTT LABORATORIES (US) 2007-12-18 US disclosed
US-7309699-B2 3-Quinuclidinyl amino-substituted biaryl derivatives ABBOTT LABORATORIES (US) 2007-12-18 US disclosed
US-20070275975-A1 3-QUINUCLIDINYL AMINO-SUBSTITUTED BIARYL DERIVATIVES JI JIANGUO 2007-11-29 US disclosed
US-20070275975-A1 3-QUINUCLIDINYL AMINO-SUBSTITUTED BIARYL DERIVATIVES JI JIANGUO 2007-11-29 US disclosed
US-7241773-B2 3-quinuclidinyl heteroatom bridged biaryl derivatives ABBOTT LABORATORIES (US) 2007-07-10 US disclosed
US-7241773-B2 3-quinuclidinyl heteroatom bridged biaryl derivatives ABBOTT LABORATORIES (US) 2007-07-10 US disclosed
US-20070066592-A1 Fused bicycloheterocycle substituted quinuclidine derivatives ABBVIE INC. 2007-03-22 US 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
US-20070060588-A1 Fused bicycloheterocycle substituted quinuclidine derivatives ABBOTT LABORATORIES 2007-03-15 US disclosed
US-7160876-B2 Fused bicycloheterocycle substituted quinuclidine derivatives ABBOTT LABORATORIES (US) 2007-01-09 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 (5 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 LSS 2160/4885CHRNA7 2/4885BCHE 178/4885
US-20100056565-A1 Heterocyclic Derivatives as M3 Muscarinic Receptors CHRM2, CHRM3, CHRM1 LSS 4700/4885CHRNA7 13/4885BCHE 667/4885
US-20080064703-A1 Fused bicycloheterocycle substituted quinuclidine derivatives IDO1, IDO2, HTR3C LSS 2497/4885CHRNA7 144/4885BCHE 1838/4885
US-20070275975-A1 3-QUINUCLIDINYL AMINO-SUBSTITUTED BIARYL DERIVATIVES CHRNA7, CHRNA9, CHRNA1 LSS 2291/4885CHRNA7 1/4885BCHE 679/4885
US-20070066592-A1 Fused bicycloheterocycle substituted quinuclidine derivatives CHRNA1, CHRNA7, CHRNA2 LSS 2257/4885CHRNA7 2/4885BCHE 143/4885

“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.