SCHEMBL4886045

SCHEMBL4886045

O=C(CNCC1CCN(Cc2ccccc2)CC1)C(O)(c1ccccc1)C1CCCC1

nearest known ligand 0.65

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 14/20 0.65
CHRM2 P08172 13/20 0.65
CHRM1 P11229 13/20 0.65
CXCR4 P61073 1/20 0.54
BCHE P06276 1/20 0.52
MAOA P21397 1/20 0.52
ACHE P22303 1/20 0.52

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
SCHEMBL4891854 0.94 CHRM3 (0.60) CHRM3CHRM2CHRM1
SCHEMBL4885800 0.86 CHRM2 (0.72) CHRM3CHRM2CHRM1
SCHEMBL4886775 0.85 CHRM3 (0.54) CHRM3CHRM2CHRM1
SCHEMBL4879759 0.82 CHRM3 (0.67) CHRM3CHRM2CHRM1BCHEACHE
Hydrochloric Acid SCHEMBL9192396 0.80 CHRM3 (0.64) CHRM3CHRM2CHRM1
SCHEMBL507933 0.79 CHRM3 (0.63) CHRM3CHRM2CHRM1
Hydrochloric Acid SCHEMBL9190355 0.78 CHRM3 (0.61) CHRM3CHRM2CHRM1
SCHEMBL4886046 0.78 CHRM3 (0.62) CHRM3CHRM2CHRM1
SCHEMBL4886803 0.77 CHRM3 (0.55) CHRM3CHRM2CHRM1
SCHEMBL6180856 0.75 CHRM2 (0.87) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080280883-A1 Muscarinic Receptor Antagonists RANBAXY LABORATORIES LIMITED (IN) 2008-11-13 US claimed
US-20080280883-A1 Muscarinic Receptor Antagonists RANBAXY LABORATORIES LIMITED (IN) 2008-11-13 US disclosed
EP-1794161-A2 MUSCARINIC RECEPTOR ANTAGONISTS Ranbaxy Laboratories Limited (IN) 2007-06-13 EP disclosed
WO-2006032994-A2 MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2006-03-30 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-20080280883-A1 Muscarinic Receptor Antagonists CHRM3, CHRM5, CHRM2 CHRM3 1/4885CHRM2 3/4885CHRM1 5/4885

“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.