SCHEMBL6623741

SCHEMBL6623741

c1cncc(-c2nsnc2Oc2nsnc2-c2cccnc2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.57
CHRM4 P08173 2/20 0.57
CHRM5 P08912 2/20 0.57
CHRM1 P11229 2/20 0.57
CHRM3 P20309 2/20 0.57
CYP2A6 P11509 11/20 0.48
CYP3A4 P08684 5/20 0.48
ALDH1A1 P00352 2/20 0.48
CYP1A2 P05177 1/20 0.48
IDO1 P14902 1/20 0.44
LRRK2 Q5S007 1/20 0.44
KDM4E B2RXH2 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
LMNA P02545 1/20 0.42
TP53 P04637 1/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
ALOX15 P16050 1/20 0.42
HTT P42858 1/20 0.42
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL7614581 0.86 CHRM2 (0.69) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL7613377 0.82 CHRM1 (0.64) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL7615807 0.82 CHRM2 (0.54) CHRM2CHRM4CHRM5CHRM1CHRM3
Iodide SCHEMBL9434717 0.81 CHRM2 (0.53) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL7900617 0.81 CHRM1 (0.74) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL4029522 0.81 CHRM1 (0.67) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL7609678 0.80 CHRM1 (0.69) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL7610648 0.79 CHRM2 (0.60) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL7616125 0.79 CHRM2 (0.57) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL7617382 0.79 CHRM1 (0.71) CHRM2CHRM4CHRM5CHRM1CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-20030032658-A1 Muscarinic receptor agonists MESSER WILLIAM S (US) 2003-02-13 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-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 CHRM2 3/4885CHRM4 2/4885CHRM5 5/4885
US-20010036953-A1 Pyridyl-1,2,5-thiadiazole derivatives CHRM3, CHRNA3, CHRNA2 CHRM2 4/4885CHRM4 6/4885CHRM5 8/4885

“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.