SCHEMBL4179636

SCHEMBL4179636

O=C(OCc1ccccc1)N1CC2CCC(C1)C2OC(=O)C(O)(c1cccs1)C1CCCC1

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 16/20 0.54
CHRM1 P11229 16/20 0.54
CHRM2 P08172 15/20 0.54
CHRM4 P08173 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
CYP2C19 P33261 1/20 0.39

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
SCHEMBL4193583 0.85 CHRM2 (0.57) CHRM3CHRM1CHRM2CHRM4
SCHEMBL4172759 0.81 CHRM2 (0.55) CHRM3CHRM1CHRM2CHRM4
SCHEMBL4198454 0.74 CHRM3 (0.51) CHRM3CHRM1CHRM2CHRM4
SCHEMBL3228444 0.73 CHRM3 (0.52) CHRM3CHRM1CHRM2CHRM4
SCHEMBL3214839 0.73 CHRM3 (0.52) CHRM3CHRM1CHRM2CHRM4
SCHEMBL3717717 0.73 SMN1; SMN2 (0.64) SMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL4198451 0.72 CHRM3 (0.44) CHRM3CHRM1CHRM2SMN1; SMN2NPC1
SCHEMBL14940262 0.71 CHRM3 (0.64) CHRM3CHRM1CHRM2CHRM4
SCHEMBL20799603 0.70 SMN1; SMN2 (0.61) SMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL16321021 0.70 SMN1; SMN2 (0.61) SMN1; SMN2NPC1RAB9ACYP2C19

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
US-20090105221-A1 MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2009-04-23 US claimed
US-20090105221-A1 MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2009-04-23 US disclosed
US-20090105221-A1 MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2009-04-23 US disclosed
US-20090105221-A1 MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2009-04-23 US disclosed
EP-1797040-A1 MUSCARINIC RECEPTOR ANTAGONISTS Ranbaxy Laboratories Limited (IN) 2007-06-20 EP disclosed
WO-2006035303-A1 MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2006-04-06 WO 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-20090105221-A1 MUSCARINIC RECEPTOR ANTAGONISTS CHRM3, CHRM5, CHRM2 CHRM3 1/4885CHRM1 4/4885CHRM2 3/4885

“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.