SCHEMBL4888090

SCHEMBL4888090

OC1CCCN(CC(O)C(O)(c2ccccc2)C2CCCC2)C1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.59
ALDH1A1 P00352 2/20 0.50
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
CHRM3 P20309 4/20 0.45
CYP2D6 P10635 3/20 0.45
CHRM2 P08172 3/20 0.45
CHRM1 P11229 3/20 0.45
KCNH2 Q12809 2/20 0.45
CHRM4 P08173 2/20 0.45
CHRM5 P08912 2/20 0.45
TSHR P16473 2/20 0.45
GRIN2D O15399 1/20 0.45
GRIN3B O60391 1/20 0.45
HRH1 P35367 1/20 0.45
GRIN1 Q05586 1/20 0.45
GRIN2A Q12879 1/20 0.45
GRIN2B Q13224 1/20 0.45
GRIN2C Q14957 1/20 0.45
GRIN3A Q8TCU5 1/20 0.45

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
SCHEMBL4889873 0.88 MEN1 (0.56) MEN1KMT2ACHRM3CYP2D6CHRM2
SCHEMBL4889974 0.87 MEN1 (0.53) KDM4EMEN1KMT2ACHRM3CYP2D6
SCHEMBL4890266 0.87 MEN1 (0.58) KDM4EALDH1A1MEN1KMT2ACHRM3
SCHEMBL4881797 0.87 MEN1 (0.58) KDM4EALDH1A1MEN1KMT2ACHRM3
SCHEMBL4885076 0.83 MEN1 (0.54) MEN1KMT2ACHRM3CYP2D6CHRM2
SCHEMBL4889264 0.81 TSHR (0.53) ALDH1A1MEN1KMT2ACHRM3CYP2D6
SCHEMBL4882542 0.81 MEN1 (0.71) ALDH1A1MEN1KMT2ACHRM3CYP2D6
SCHEMBL4889815 0.81 MEN1 (0.52) KDM4EALDH1A1MEN1KMT2ACHRM3
SCHEMBL4881961 0.81 MEN1 (0.49) MEN1KMT2ACHRM3CYP2D6CHRM2
SCHEMBL4887153 0.81 CHRM3 (0.50) ALDH1A1MEN1KMT2ACHRM3CYP2D6

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-20080280883-A1 Muscarinic Receptor Antagonists RANBAXY LABORATORIES LIMITED (IN) 2008-11-13 US claimed
EP-1794161-A2 MUSCARINIC RECEPTOR ANTAGONISTS Ranbaxy Laboratories Limited (IN) 2007-06-13 EP claimed
WO-2006032994-A2 MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2006-03-30 WO 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 KDM4E 3801/4885ALDH1A1 1823/4885MEN1 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.