SCHEMBL4885842

SCHEMBL4885842

O=C(CN1CCCN(CCc2ccc3c(c2)OCO3)CC1)C(O)(c1ccccc1)C1CCCC1

nearest known ligand 0.66

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 8/20 0.57
CYP2J2 P51589 1/20 0.47
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
ADRA1D P25100 1/20 0.44
ADRA1A P35348 1/20 0.44
ADRA1B P35368 1/20 0.44
KDM4E B2RXH2 1/20 0.44
MAPK1 P28482 1/20 0.44

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
SCHEMBL4883207 0.88 ADRA1D (0.52) CHRM3CYP2J2MEN1KMT2AADRA1D
SCHEMBL4889712 0.87 CHRM3 (0.59) CHRM3ADRA1A
Hydrochloric Acid SCHEMBL9195371 0.86 CHRM3 (0.57) CHRM3MEN1KMT2A
SCHEMBL5121123 0.80 CHRM3 (0.59) CHRM3
SCHEMBL4886415 0.80 CHRM3 (0.53) CHRM3CYP2J2MEN1KMT2AADRA1D
SCHEMBL8983764 0.79 CHRM3 (0.50) CHRM3CYP2J2MEN1KMT2AADRA1D
SCHEMBL4193585 0.78 CHRM3 (0.51) CHRM3ADRA1A
SCHEMBL4889319 0.78 CHRM3 (0.54) CHRM3CYP2J2MEN1KMT2AADRA1D
SCHEMBL4889750 0.78 KEAP1 (0.60) CHRM3
SCHEMBL5948391 0.78 CHRM3 (0.50) CHRM3

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 1/4885CYP2J2 656/4885MEN1 1629/4885

“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.