SCHEMBL4030575

SCHEMBL4030575

CN1CCC=C(c2nsnc2OCCOCCOCCOCCOc2nsnc2C2=CCCN(C)C2)C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 19/20 1.00
CHRM4 P08173 11/20 1.00
CHRM2 P08172 8/20 1.00
CHRM5 P08912 8/20 1.00
CHRM3 P20309 8/20 1.00

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
Hydrochloric Acid SCHEMBL7908497 0.99 CHRM1 (0.97) CHRM1CHRM4CHRM2CHRM5CHRM3
Hydrochloric Acid SCHEMBL7907409 0.99 CHRM1 (0.97) CHRM1CHRM4CHRM2CHRM5CHRM3
Hydrochloric Acid SCHEMBL7900556 0.99 CHRM1 (0.97) CHRM1CHRM4CHRM2CHRM5CHRM3
SCHEMBL7613770 0.95 CHRM1 (0.98) CHRM1CHRM4CHRM2CHRM5CHRM3
SCHEMBL6912809 0.95 CHRM1 (0.91) CHRM1CHRM4CHRM2CHRM5CHRM3
Hydrochloric Acid SCHEMBL7900811 0.95 CHRM4 (0.97) CHRM1CHRM4CHRM2CHRM5CHRM3
SCHEMBL6913192 0.94 CHRM1 (0.95) CHRM1CHRM4CHRM2CHRM5CHRM3
SCHEMBL6911850 0.93 CHRM1 (0.89) CHRM1CHRM4CHRM2CHRM5CHRM3
SCHEMBL6917311 0.93 CHRM1 (0.89) CHRM1CHRM4CHRM2CHRM5CHRM3
SCHEMBL6915579 0.91 CHRM4 (0.90) 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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1355646-B1 MUSCARINIC RECEPTOR AGONISTS UNIV TOLEDO (US) 2009-05-13 EP disclosed
EP-1355646-A4 MUSCARINIC RECEPTOR AGONISTS UNIV TOLEDO (US) 2004-06-16 EP disclosed
EP-1355646-A1 MUSCARINIC RECEPTOR AGONISTS UNIVERSITY OF TOLEDO (US) 2003-10-29 EP disclosed
US-6602891-B2 Muscarinic receptor agonists THE UNIVERSITY OF TOLEDO 2003-08-05 US disclosed
WO-2002060444-A1 MUSCARINIC RECEPTOR AGONISTS UNIVERSITY OF TOLEDO, THE a University instrumentality of the State of Ohio (US) 2002-08-08 WO 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-6211204-B1 THIADIAZOLE, HYDROGENATED PYRIDINE DERIVATIVES UNIVERSITY OF TOLEDO 2001-04-03 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 (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-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.