SCHEMBL3226901

SCHEMBL3226901

Cc1ccc(-c2c(O)cccc2CC(=O)OCC2C3CCC2C[N+](C)(Cc2ccccc2)C3)cc1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.34
ALDH1A1 P00352 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
TP53 P04637 2/20 0.32
MGLL Q99685 2/20 0.31
CHRM2 P08172 2/20 0.31
CHRM3 P20309 2/20 0.31
NPSR1 Q6W5P4 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL3213550 0.91 KMT2A (0.35) KMT2AALDH1A1SMN1; SMN2TP53MGLL
SCHEMBL3210038 0.88 ALDH1A1 (0.31) ALDH1A1
SCHEMBL3216731 0.83 S1PR1 (0.41) KMT2AALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL3219719 0.82 CHRM3 (0.33) ALDH1A1SMN1; SMN2CHRM3
SCHEMBL3216763 0.81 PKM (0.31) ALDH1A1CHRM3
SCHEMBL3216737 0.80 ALDH1A1 (0.32) ALDH1A1CHRM3
SCHEMBL3224062 0.78 NAAA (0.34) ALDH1A1MGLLCHRM3
SCHEMBL3226494 0.73 KCNA5 (0.34) ALDH1A1SMN1; SMN2MGLLCHRM3
SCHEMBL3226891 0.72 CHRM3 (0.47) CHRM2CHRM3
SCHEMBL3222038 0.70 L3MBTL1 (0.38) KMT2AALDH1A1CHRM3L3MBTL1

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-20100056496-A1 MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2010-03-04 US claimed
EP-2059505-A2 MUSCARINIC RECEPTOR ANTAGONISTS Ranbaxy Laboratories Limited (IN) 2009-05-20 EP claimed
WO-2008029349-A2 MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2008-03-13 WO claimed
US-20100056496-A1 MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2010-03-04 US 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-20100056496-A1 MUSCARINIC RECEPTOR ANTAGONISTS CHRM3, CHRM5, CHRM2 KMT2A 3389/4885ALDH1A1 2093/4885SMN1; SMN2 2082/4885

“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.