SCHEMBL4031440

SCHEMBL4031440

CN1CCC=C(c2nsnc2Oc2nsnc2C2=CCCN(C)C2)C1

nearest known ligand 0.81

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 5/20 0.76
CHRM1 P11229 17/20 0.74
CHRM2 P08172 2/20 0.72
CHRM5 P08912 2/20 0.72
CHRM3 P20309 2/20 0.72

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 SCHEMBL6607269 0.98 CHRM4 (0.74) CHRM4CHRM1CHRM2CHRM5CHRM3
Acetic Acid SCHEMBL4032699 0.91 CHRM1 (0.70) CHRM4CHRM1CHRM2CHRM5CHRM3
SCHEMBL23370707 0.89 CHRM4 (0.74) CHRM4CHRM1CHRM2CHRM5CHRM3
SCHEMBL6916078 0.89 CHRM1 (0.74) CHRM4CHRM1CHRM2CHRM5CHRM3
Hydrochloric Acid SCHEMBL7900811 0.85 CHRM4 (0.97) CHRM4CHRM1CHRM2CHRM5CHRM3
SCHEMBL6913185 0.85 CHRM1 (1.00) CHRM4CHRM1CHRM2CHRM5CHRM3
SCHEMBL6914130 0.85 CHRM4 (0.69) CHRM4CHRM1CHRM2CHRM5CHRM3
SCHEMBL12043378 0.84 CHRM4 (0.67) CHRM4CHRM1CHRM2CHRM5CHRM3
SCHEMBL4035543 0.84 CHRM1 (1.00) CHRM4CHRM1CHRM2CHRM5CHRM3
SCHEMBL6915575 0.84 CHRM4 (0.67) CHRM4CHRM1CHRM2CHRM5CHRM3

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 5 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
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-20010036953-A1 Pyridyl-1,2,5-thiadiazole derivatives TOLEDO, THE UNIVERSITY OF 2001-11-01 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 CHRM4 2/4885CHRM1 6/4885CHRM2 3/4885
US-20010036953-A1 Pyridyl-1,2,5-thiadiazole derivatives CHRM3, CHRNA3, CHRNA2 CHRM4 6/4885CHRM1 10/4885CHRM2 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.