SCHEMBL4189224

SCHEMBL4189224

O=C(O)NCC1C2CCC1CN(Cc1ccccc1)C2

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 3/20 0.48
S1PR1 P21453 1/20 0.48
S1PR5 Q9H228 1/20 0.48
FUCA1 P04066 2/20 0.46
DRD4 P21917 2/20 0.45
DRD2 P14416 1/20 0.45
DRD3 P35462 1/20 0.45
KMT2A Q03164 1/20 0.45
SIGMAR1 Q99720 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
SCHEMBL1014404 0.85 S1PR5 (0.50) GRIN2BS1PR1S1PR5FUCA1DRD4
SCHEMBL4188612 0.84 CHRM3 (0.43) GRIN2BS1PR1S1PR5
SCHEMBL4190801 0.84 CHRM3 (0.43) GRIN2BS1PR1S1PR5
SCHEMBL13875520 0.83 CHRM3 (0.46) GRIN2B
SCHEMBL4245976 0.83 DRD2 (0.58) DRD4DRD2
SCHEMBL4248205 0.82 BACE1 (0.55) DRD4DRD2KMT2ASIGMAR1
SCHEMBL4200481 0.81 GRIN2B (0.43) GRIN2BS1PR1S1PR5
SCHEMBL4242462 0.81 DRD2 (0.43) DRD4DRD2DRD3
SCHEMBL4189388 0.81 GRIN2B (0.43) GRIN2BS1PR1S1PR5
SCHEMBL4237299 0.81 CHRNB2 (0.54) KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090105221-A1 MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2009-04-23 US disclosed
EP-1797040-A1 MUSCARINIC RECEPTOR ANTAGONISTS Ranbaxy Laboratories Limited (IN) 2007-06-20 EP disclosed
WO-2006035303-A1 MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2006-04-06 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-20090105221-A1 MUSCARINIC RECEPTOR ANTAGONISTS CHRM3, CHRM5, CHRM2 GRIN2B 626/4885S1PR1 305/4885S1PR5 289/4885

“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.