SCHEMBL4404766

SCHEMBL4404766

C[N+]12CCC(CC1)[C@@H](OC(=O)C(O)(c1cccs1)C1CCC(F)(F)C1)C2

nearest known ligand 0.64

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 17/20 0.64
CHRM2 P08172 15/20 0.64
CHRM1 P11229 15/20 0.64
CYP2D6 P10635 1/20 0.48
CHRM4 P08173 1/20 0.48
CHRM5 P08912 1/20 0.48
SLC6A4 P31645 1/20 0.48
KCNH2 Q12809 1/20 0.48

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
Bromide SCHEMBL4417553 0.99 CHRM3 (0.66) CHRM3CHRM2CHRM1CYP2D6CHRM4
Bromide SCHEMBL4408588 0.88 CHRM3 (0.57) CHRM3CHRM2CHRM1CHRM4CHRM5
Bromide SCHEMBL4416985 0.86 CHRM3 (0.61) CHRM3CHRM2CHRM1CHRM4CHRM5
Bromide SCHEMBL4408398 0.85 CHRM3 (0.66) CHRM3CHRM2CHRM1CHRM4CHRM5
Bromide SCHEMBL4415242 0.82 CHRM3 (0.70) CHRM3CHRM2CHRM1CHRM4CHRM5
Bromide SCHEMBL4412472 0.82 CHRM3 (0.57) CHRM3CHRM2CHRM1CHRM4CHRM5
Bromide SCHEMBL4407438 0.80 CHRM3 (0.51) CHRM3CHRM2CHRM1CHRM4CHRM5
SCHEMBL2929813 0.80 CHRM3 (0.45) CHRM3CHRM2CHRM1CHRM4CHRM5
SCHEMBL2929814 0.80 CHRM3 (0.51) CHRM3CHRM2CHRM1CHRM4CHRM5
Bromide SCHEMBL2799406 0.80 CHRM3 (0.45) CHRM3CHRM2CHRM1CHRM4CHRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090326004-A1 MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2009-12-31 US disclosed
EP-2130830-A1 Muscarinic receptor antagonists Ranbaxy Laboratories Limited (IN) 2009-12-09 EP 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-20090326004-A1 MUSCARINIC RECEPTOR ANTAGONISTS LTB4R2, LTB4R, LTC4S CHRM3 7/4885CHRM2 11/4885CHRM1 19/4885

“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.