SCHEMBL4246952

SCHEMBL4246952

O=C(OCC1C2CCC1CN(Cc1ccccc1)C2)N(Cc1ccc(O)cc1)c1cccc(F)c1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 7/20 0.48
CHRM1 P11229 7/20 0.48
CHRM3 P20309 7/20 0.48
ACHE P22303 1/20 0.47
LTB4R2 Q9NPC1 1/20 0.42
GRIN2B Q13224 2/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
MAOB P27338 1/20 0.40
OPRM1 P35372 1/20 0.40
KCNH2 Q12809 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
PTGIR P43119 5/20 0.40
PTGDR Q13258 3/20 0.40
PTGER4 P35408 1/20 0.40
PTGER3 P43115 1/20 0.40
PTGER2 P43116 1/20 0.40

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
SCHEMBL4250571 0.95 CHRM2 (0.52) CHRM2CHRM1CHRM3ACHEMEN1
SCHEMBL4248307 0.91 CHRM2 (0.52) CHRM2CHRM1CHRM3ACHEMEN1
SCHEMBL4249813 0.91 ACHE (0.47) CHRM2CHRM1CHRM3ACHEMEN1
SCHEMBL4246887 0.90 CHRM1 (0.49) CHRM2CHRM1CHRM3ACHEMEN1
SCHEMBL4245844 0.90 ACHE (0.48) CHRM2CHRM1CHRM3ACHEMEN1
SCHEMBL4250508 0.88 PTGIR (0.52) ACHEPTGIRPTGDRPTGER4PTGER3
SCHEMBL4240764 0.88 CHRM1 (0.46) CHRM2CHRM1CHRM3ACHEMEN1
SCHEMBL4245563 0.86 ACHE (0.49) CHRM2CHRM1CHRM3ACHEMEN1
SCHEMBL4248347 0.86 CHRM2 (0.52) CHRM2CHRM1CHRM3ACHEGRIN2B
SCHEMBL4240894 0.85 CHRM2 (0.47) CHRM2CHRM1CHRM3ACHEGRIN2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 CHRM2 2/4885CHRM1 5/4885CHRM3 1/4885

“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.