SCHEMBL4029522

SCHEMBL4029522

OCCOc1nsnc1-c1cccnc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 5/20 0.67
CHRM2 P08172 3/20 0.67
CHRM4 P08173 3/20 0.67
CHRM5 P08912 3/20 0.67
CHRM3 P20309 3/20 0.67
CYP2A6 P11509 10/20 0.44
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
MKNK1 Q9BUB5 1/20 0.41
MKNK2 Q9HBH9 1/20 0.41
CYP3A4 P08684 4/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 4/20 0.39
CYP2C9 P11712 4/20 0.39
CYP2C19 P33261 4/20 0.39
CYP19A1 P11511 1/20 0.39
CYP2E1 P05181 3/20 0.38
CYP2B6 P20813 3/20 0.38
IDO1 P14902 1/20 0.38

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
SCHEMBL7900617 0.88 CHRM1 (0.74) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL7609678 0.87 CHRM1 (0.69) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL7617382 0.86 CHRM1 (0.71) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL7610514 0.85 CHRM1 (0.70) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL7611120 0.85 CHRM2 (0.62) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL7613377 0.84 CHRM1 (0.64) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL7613448 0.83 CHRM1 (0.68) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL7611966 0.83 CHRM1 (0.68) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL6908445 0.83 CHRM1 (0.68) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL7611380 0.83 CHRM2 (0.65) CHRM1CHRM2CHRM4CHRM5CHRM3

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
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
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-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 (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 10/4885CHRM2 4/4885CHRM4 6/4885

“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.