SCHEMBL4035543

SCHEMBL4035543

CN1CCC=C(c2nsnc2OCCCCCCCCCCCCOc2nsnc2C2=CCCN(C)C2)C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 18/20 1.00
CHRM4 P08173 7/20 1.00
CHRM2 P08172 4/20 1.00
CHRM5 P08912 4/20 1.00
CHRM3 P20309 4/20 1.00
HTR1A P08908 1/20 0.90
ADRA2A P08913 1/20 0.90
MAOA P21397 1/20 0.90
DRD1 P21728 1/20 0.90
ACHE P22303 1/20 0.90
SLC6A2 P23975 1/20 0.90
PDE4A P27815 1/20 0.90
SLC6A4 P31645 1/20 0.90
ADRA1A P35348 1/20 0.90
DRD3 P35462 1/20 0.90
HTR2B P41595 1/20 0.90
SLC6A3 Q01959 1/20 0.90
KCNH2 Q12809 1/20 0.90
CACNA1C Q13936 1/20 0.90
SCN5A Q14524 1/20 0.90

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
SCHEMBL6913473 0.95 CHRM1 (1.00) CHRM1CHRM4CHRM2CHRM5CHRM3
SCHEMBL6907880 0.95 CHRM1 (1.00) CHRM1CHRM4CHRM2CHRM5CHRM3
Xanomeline SCHEMBL121046 0.95 CHRM1 (1.00) CHRM1CHRM4CHRM2CHRM5CHRM3
Xanomeline SCHEMBL31112303 0.94 CHRM1 (0.98) CHRM1CHRM4CHRM2CHRM5CHRM3
Xanomeline SCHEMBL18049053 0.94 CHRM1 (0.98) CHRM1CHRM4CHRM2CHRM5CHRM3
SCHEMBL23359075 0.94 CHRM1 (0.88) CHRM1CHRM4CHRM2CHRM5CHRM3
SCHEMBL6607507 0.94 CHRM1 (0.88) CHRM1CHRM4CHRM2CHRM5CHRM3
SCHEMBL4031929 0.94 CHRM1 (0.98) CHRM1CHRM4CHRM2CHRM5CHRM3
SCHEMBL6913174 0.94 CHRM1 (1.00) CHRM1CHRM4CHRM2CHRM5CHRM3
Hydrochloric Acid SCHEMBL7900811 0.93 CHRM4 (0.97) CHRM1CHRM4CHRM2CHRM5CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6096767-A Muscarinic receptor agonists THE UNIVERSITY OF TOLEDO (US) 2000-08-01 US claimed
EP-1355646-B1 MUSCARINIC RECEPTOR AGONISTS UNIV TOLEDO (US) 2009-05-13 EP disclosed
US-6602891-B2 Muscarinic receptor agonists THE UNIVERSITY OF TOLEDO 2003-08-05 US disclosed
US-20030032658-A1 Muscarinic receptor agonists MESSER WILLIAM S (US) 2003-02-13 US disclosed
US-6376675-B2 PYRIDYL-1,2,5-THIADIAZOLE DERIVATIVES THE UNIVERSITY OF TOLEDO 2002-04-23 US disclosed
US-6369081-B1 Muscarinic receptor agonists THE UNIVERSITY OF TOLEDO 2002-04-09 US disclosed
US-20010036953-A1 Pyridyl-1,2,5-thiadiazole derivatives TOLEDO, THE UNIVERSITY OF 2001-11-01 US disclosed
US-6096767-A Muscarinic receptor agonists THE UNIVERSITY OF TOLEDO (US) 2000-08-01 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 (2 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-20030032658-A1 Muscarinic receptor agonists CHRM3, CHRM4, CHRM2 CHRM1 6/4885CHRM4 2/4885CHRM2 3/4885
US-20010036953-A1 Pyridyl-1,2,5-thiadiazole derivatives CHRM3, CHRNA3, CHRNA2 CHRM1 10/4885CHRM4 6/4885CHRM2 4/4885

“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.