SCHEMBL3226494

SCHEMBL3226494

C[N+]1(Cc2ccccc2)CC2C(COC(=O)Cc3cccc(-c4ccc(F)cc4)c3O)C2C1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 1/20 0.34
FFAR1 O14842 1/20 0.33
FFAR4 Q5NUL3 1/20 0.33
PTGER1 P34995 1/20 0.33
PTGER4 P35408 1/20 0.33
PTGER3 P43115 1/20 0.33
PTGER2 P43116 1/20 0.33
CHRM3 P20309 4/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
MLNR O43193 1/20 0.32
LIPG Q9Y5X9 1/20 0.32
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 1/20 0.31
CHRNB2 P17787 1/20 0.31
CHRNB4 P30926 1/20 0.31
CHRNA3 P32297 1/20 0.31
CHRNA4 P43681 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
SCHEMBL3219719 0.91 CHRM3 (0.33) KCNA5FFAR1FFAR4CHRM3SMN1; SMN2
SCHEMBL3227035 0.84 ALDH1A1 (0.38) KCNA5ALDH1A1LMNALIPG
SCHEMBL3213550 0.81 KMT2A (0.35) SMN1; SMN2ALDH1A1MGLL
SCHEMBL3224776 0.80 CHRM3 (0.35) KCNA5CHRM3LIPGSLC6A4SLC6A3
SCHEMBL3226901 0.73 KMT2A (0.34) CHRM3SMN1; SMN2ALDH1A1MGLL
SCHEMBL3224062 0.71 NAAA (0.34) CHRM3ALDH1A1MAPTMGLL
SCHEMBL3227023 0.68 MMP1 (0.50) FFAR1FFAR4PTGER1PTGER4PTGER3
SCHEMBL23425638 0.67 TRPM8 (0.48) CHRM3SMN1; SMN2ALDH1A1LMNAMAPT
SCHEMBL3219706 0.63 CHRM3 (0.45) CHRM3LMNASLC6A4
SCHEMBL4619074 0.62 AKR1B1 (0.41) KCNA5FFAR1FFAR4ALDH1A1LTB4R

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-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
EP-2059505-A2 MUSCARINIC RECEPTOR ANTAGONISTS Ranbaxy Laboratories Limited (IN) 2009-05-20 EP disclosed
WO-2008029349-A2 MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2008-03-13 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-20100056496-A1 MUSCARINIC RECEPTOR ANTAGONISTS CHRM3, CHRM5, CHRM2 KCNA5 288/4885FFAR1 102/4885FFAR4 187/4885

“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.