SCHEMBL12415451

SCHEMBL12415451

O=C(O[C@H]1C[N+]2(CCOc3ccc(F)cc3)CCC1CC2)C1(c2ccccc2)CCCCCC1

nearest known ligand 0.68

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 20/20 0.68
CHRM2 P08172 10/20 0.55
CHRM1 P11229 10/20 0.55

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
Formic Acid SCHEMBL1430688 0.96 CHRM3 (0.63) CHRM3CHRM2CHRM1
Formic Acid SCHEMBL1430687 0.96 CHRM3 (0.63) CHRM3CHRM2CHRM1
SCHEMBL10147606 0.94 CHRM3 (0.75) CHRM3CHRM2CHRM1
Bromide SCHEMBL1040766 0.93 CHRM3 (0.74) CHRM3CHRM2CHRM1
SCHEMBL12415480 0.90 CHRM3 (0.75) CHRM3CHRM2CHRM1
SCHEMBL10147595 0.90 CHRM3 (0.75) CHRM3CHRM2CHRM1
Bromide SCHEMBL1042471 0.89 CHRM3 (0.74) CHRM3CHRM2CHRM1
SCHEMBL12415462 0.86 CHRM3 (0.64) CHRM3CHRM2CHRM1
Formic Acid SCHEMBL1428242 0.85 CHRM3 (0.70) CHRM3CHRM2CHRM1
Formic Acid SCHEMBL2188305 0.85 CHRM3 (0.70) CHRM3CHRM2CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130030001-A1 QUINUCLIDINE DERIVATIVES AS MUSCARINIC M3 RECEPTOR ANTAGONISTS PULMAGEN THERAPEUTICS (SYNERGY) LIMITED (GB) 2013-01-31 US disclosed
US-8329729-B2 Quinuclidine derivatives as muscarinic M3 receptor antagonists ASTRAZENECA AB (SE) 2012-12-11 US disclosed
US-20110172237-A1 QUINUCLIDINE DERIVATIVES AS MUSCARINIC M3 RECEPTOR ANTAGONISTS ASTRAZENECA UK LIMITED (GB) 2011-07-14 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-20110172237-A1 QUINUCLIDINE DERIVATIVES AS MUSCARINIC M3 RECEPTOR ANTAGONISTS CHRM3, CHRM2, CHRM1 CHRM3 1/4885CHRM2 2/4885CHRM1 3/4885
US-20130030001-A1 QUINUCLIDINE DERIVATIVES AS MUSCARINIC M3 RECEPTOR ANTAGONISTS CHRM3, CHRM2, CHRM5 CHRM3 1/4885CHRM2 2/4885CHRM1 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.