SCHEMBL3584795

SCHEMBL3584795

COC(=O)CCC(O)c1cccc(OC)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.61
AOC3 Q16853 2/20 0.58
CHRM2 P08172 1/20 0.52
CHRM1 P11229 1/20 0.52
CHRM3 P20309 1/20 0.52
MTNR1A P48039 5/20 0.51
MTNR1B P49286 5/20 0.51
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
GRIN2B Q13224 1/20 0.45
HTR1A P08908 1/20 0.45
ADRA2A P08913 1/20 0.45
DRD1 P21728 1/20 0.45
SLC6A2 P23975 1/20 0.45
SLC6A4 P31645 1/20 0.45
ADRA1A P35348 1/20 0.45
OPRM1 P35372 1/20 0.45
DRD3 P35462 1/20 0.45
SLC6A3 Q01959 1/20 0.45
KCNH2 Q12809 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
SCHEMBL3584798 1.00 L3MBTL1 (0.61) L3MBTL1AOC3CHRM2CHRM1CHRM3
SCHEMBL10698060 0.93 L3MBTL1 (0.59) L3MBTL1AOC3CHRM2CHRM1CHRM3
SCHEMBL11436414 0.87 L3MBTL1 (0.62) L3MBTL1AOC3CHRM2CHRM1CHRM3
SCHEMBL11436413 0.87 L3MBTL1 (0.62) L3MBTL1AOC3CHRM2CHRM1CHRM3
SCHEMBL11436469 0.87 L3MBTL1 (0.62) L3MBTL1AOC3CHRM2CHRM1CHRM3
SCHEMBL8770883 0.85 L3MBTL1 (0.73) L3MBTL1AOC3CHRM2CHRM1CHRM3
SCHEMBL7352928 0.84 KDM4E (0.45) L3MBTL1AOC3MEN1KMT2A
SCHEMBL3854268 0.82 L3MBTL1 (0.74) L3MBTL1AOC3CHRM2CHRM1CHRM3
SCHEMBL11450304 0.82 L3MBTL1 (0.57) L3MBTL1AOC3CHRM2CHRM1CHRM3
SCHEMBL2512731 0.81 AOC3 (0.54) AOC3MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130210769-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2013-08-15 US disclosed
US-8431607-B2 Compounds and compositions as inhibitors of cannabinoid receptor 1 activity IRM LLC, A DELAWARE LIMITED LIABILITY COMPANY (BM) 2013-04-30 US disclosed
US-20100234365-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2010-09-16 US disclosed
US-20100234365-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2010-09-16 US disclosed
EP-2121598-A2 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2009-11-25 EP disclosed
WO-2008076754-A2 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2008-06-26 WO disclosed
WO-2008076754-A2 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2008-06-26 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 (2 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-20130210769-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY CNR1, CNR2, FAAH L3MBTL1 4596/4885AOC3 3440/4885CHRM2 1478/4885
US-20100234365-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY CNR1, CNR2, FAAH L3MBTL1 4596/4885AOC3 3440/4885CHRM2 1478/4885

“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.