SCHEMBL4619115

SCHEMBL4619115

O=C(CC(O)(c1ccccc1)c1ccccc1)OCC1C2CN(Cc3ccccc3)CC12

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 1/20 0.46
S1PR5 Q9H228 3/20 0.41
S1PR1 P21453 2/20 0.41
BCHE P06276 4/20 0.40
ACHE P22303 4/20 0.40
MAOB P27338 2/20 0.40
FUCA1 P04066 2/20 0.40
GRK5 P34947 1/20 0.38
CDK8 P49336 1/20 0.38

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
SCHEMBL4619278 0.79 ACHE (0.41) CHRM3S1PR5S1PR1BCHEACHE
SCHEMBL4618464 0.79 S1PR1 (0.41) CHRM3S1PR5S1PR1FUCA1
SCHEMBL4617491 0.78 CHRM3 (0.48) CHRM3S1PR5S1PR1BCHEACHE
SCHEMBL4619509 0.77 CHRM3 (0.48) CHRM3S1PR5S1PR1BCHEACHE
SCHEMBL19971611 0.75 BCHE (0.51) S1PR5S1PR1BCHEACHEMAOB
SCHEMBL19971612 0.75 BCHE (0.51) S1PR5S1PR1BCHEACHEMAOB
SCHEMBL19971615 0.75 BCHE (0.55) S1PR5S1PR1BCHEACHEMAOB
SCHEMBL19971616 0.75 BCHE (0.55) S1PR5S1PR1BCHEACHEMAOB
SCHEMBL19971617 0.75 BCHE (0.55) S1PR5S1PR1BCHEACHEMAOB
SCHEMBL18517359 0.75 BCHE (0.51) S1PR5S1PR1BCHEACHEMAOB

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-20080319043-A1 3,6-Disubstituted Azabicyclo (3.1.0) Hexane Derivatives as Muscarinic Receptor Antagonists RANBAXY LABORATORIES LIMITED (IN) 2008-12-25 US claimed
EP-1888525-A1 3,6-DISUBSTITUTED AZABICYCLO [3.1.0]HEXANE DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONISTS Ranbaxy Laboratories Limited (IN) 2008-02-20 EP claimed
WO-2006117754-A1 3,6-DISUBSTITUTED AZABICYCLO [3.1.0] HEXANE DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2006-11-09 WO claimed
US-20080319043-A1 3,6-Disubstituted Azabicyclo (3.1.0) Hexane Derivatives as Muscarinic Receptor Antagonists RANBAXY LABORATORIES LIMITED (IN) 2008-12-25 US disclosed
EP-1888525-A1 3,6-DISUBSTITUTED AZABICYCLO [3.1.0]HEXANE DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONISTS Ranbaxy Laboratories Limited (IN) 2008-02-20 EP disclosed
WO-2006117754-A1 3,6-DISUBSTITUTED AZABICYCLO [3.1.0] HEXANE DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2006-11-09 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-20080319043-A1 3,6-Disubstituted Azabicyclo (3.1.0) Hexane Derivatives as Muscarinic Receptor Antagonists CHRM3, CHRM5, CHRM2 CHRM3 1/4885S1PR5 139/4885S1PR1 177/4885

“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.