SCHEMBL4244829

SCHEMBL4244829

O=C(O)N(c1ccc(F)c(F)c1)c1cccc(F)c1CC1C2CCC1CN(Cc1ccccc1)C2

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.41
GRIN2B Q13224 3/20 0.40
L3MBTL1 Q9Y468 1/20 0.38
CHRM2 P08172 1/20 0.37
ACHE P22303 2/20 0.37
POLB P06746 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
PTGIR P43119 1/20 0.36
PTGDR Q13258 1/20 0.36

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
SCHEMBL4237510 0.86 MEN1 (0.41) SIGMAR1GRIN2BL3MBTL1ACHEMEN1
SCHEMBL4246890 0.86 SIGMAR1 (0.43) SIGMAR1GRIN2BL3MBTL1ACHEPOLB
SCHEMBL4248310 0.81 SIGMAR1 (0.40) SIGMAR1GRIN2BL3MBTL1CHRM2ACHE
SCHEMBL4248032 0.81 GRIN2B (0.39) SIGMAR1GRIN2BCHRM2ACHEPOLB
SCHEMBL4245846 0.77 MEN1 (0.40) SIGMAR1GRIN2BACHEMEN1KMT2A
SCHEMBL4248026 0.77 PTGIR (0.57) PTGIRPTGDR
SCHEMBL4245728 0.76 ACHE (0.42) SIGMAR1CHRM2ACHEMEN1KMT2A
SCHEMBL4244827 0.76 PTGIR (0.58) ACHEPTGIRPTGDR
SCHEMBL4250510 0.75 ACHE (0.44) SIGMAR1GRIN2BCHRM2ACHEPOLB
SCHEMBL4248022 0.73 GRIN2B (0.40) SIGMAR1GRIN2BACHEPOLB

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090012116-A1 Muscarinic Receptor Antagonists RANBAXY LABORATORIES LIMITED (IN) 2009-01-08 US claimed
US-20090012116-A1 Muscarinic Receptor Antagonists RANBAXY LABORATORIES LIMITED (IN) 2009-01-08 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-20090012116-A1 Muscarinic Receptor Antagonists CHRM3, CHRM2, CHRM5 SIGMAR1 317/4885GRIN2B 421/4885L3MBTL1 4211/4885

“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.