SCHEMBL941667

SCHEMBL941667

CC(=O)O[C@@H]1CCC[C@H]1OC(=O)Cl

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 6/20 0.50
CHRM1 P11229 4/20 0.50
CHRM4 P08173 3/20 0.50
CHRM3 P20309 3/20 0.50
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
CYP2D6 P10635 2/20 0.41
SLC18A3 Q16572 2/20 0.36
TSHR P16473 1/20 0.33
ALDH1A1 P00352 1/20 0.33
NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL789252 0.89 CHRM2 (0.53) CHRM2CHRM1CHRM4CHRM3KMT2A
SCHEMBL20995891 0.89 CHRM2 (0.53) CHRM2CHRM1CHRM4CHRM3KMT2A
SCHEMBL7926056 0.84 CHRM2 (0.48) CHRM2CHRM1CHRM4CHRM3KMT2A
SCHEMBL7920287 0.84 CHRM2 (0.48) CHRM2CHRM1CHRM4CHRM3KMT2A
SCHEMBL7926060 0.84 CHRM2 (0.48) CHRM2CHRM1CHRM4CHRM3KMT2A
SCHEMBL8969129 0.83 CHRM2 (0.37) CHRM2CHRM1CHRM4CHRM3ALDH1A1
SCHEMBL16672047 0.81 CHRM2 (0.47) CHRM2CHRM1CHRM4CHRM3KMT2A
SCHEMBL11503102 0.78 CHRM2 (0.46) CHRM2CHRM1CHRM4CHRM3KMT2A
SCHEMBL11784008 0.78 LMNA (0.31)
SCHEMBL7678513 0.77 CHRM2 (0.48) CHRM2CHRM1CHRM4CHRM3KMT2A

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-7868041-B2 Cyclic 1-(acyloxy)-alkyl prodrugs of GABA analogs, compositions and uses thereof XENOPORT, INC. (US) 2011-01-11 US disclosed
US-20090270493-A1 CYCLIC 1-(ACYLOXY)-ALKYL PRODRUGS OF GABA ANALOGS, COMPOSITIONS AND USES THEREOF XENOPORT, INC. (US) 2009-10-29 US disclosed
US-7569576-B2 Cyclic 1-(acyloxy)-alkyl prodrugs of GABA analogs, compositions and uses thereof XENOPORT, INC. (US) 2009-08-04 US disclosed
US-20060122125-A1 Cyclic 1-(acyloxy)-alkyl prodrugs of GABA analogs, compositions and uses thereof XENOPORT, INC. 2006-06-08 US disclosed
US-7026351-B2 Gamma-aminobutyric acid (GABA); prodrugs of gabapentin and/or pregabalin; for sustained release; for treatment of pain and epilepsy XENOPORT, INC. (US) 2006-04-11 US disclosed
US-20030236200-A1 Cyclic 1-(acyloxy)-alkyl prodrugs of GABA analogs, compositions and uses thereof XENOPORT, INC. 2003-12-25 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 (3 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-20090270493-A1 CYCLIC 1-(ACYLOXY)-ALKYL PRODRUGS OF GABA ANALOGS, COMPOSITIONS AND USES THEREOF GABRB1, GABRB3, GABRB2 CHRM2 2263/4885CHRM1 1791/4885CHRM4 1639/4885
US-20060122125-A1 Cyclic 1-(acyloxy)-alkyl prodrugs of GABA analogs, compositions and uses thereof GABRB1, GABRB3, GABRB2 CHRM2 2263/4885CHRM1 1791/4885CHRM4 1639/4885
US-20030236200-A1 Cyclic 1-(acyloxy)-alkyl prodrugs of GABA analogs, compositions and uses thereof GABRB1, GABRB3, GABRB2 CHRM2 2263/4885CHRM1 1791/4885CHRM4 1639/4885

“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.