SCHEMBL3645162

SCHEMBL3645162

O=C(O)C1(c2ccccc2)CC2CCC1C2

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 1/20 0.48
HSD11B1 P28845 5/20 0.44
MAOB P27338 1/20 0.41
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
SLC6A3 Q01959 2/20 0.38
SLC6A2 P23975 2/20 0.38
SLC6A4 P31645 1/20 0.38
AKR1C1 Q04828 1/20 0.37
ALOX15 P16050 1/20 0.36

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
SCHEMBL3582800 0.74 ALOX5AP (0.51) ALOX5APHSD11B1LMNAHTT
SCHEMBL23558947 0.73 ALOX5AP (0.45) ALOX5APHSD11B1
SCHEMBL4338834 0.73 ALOX5AP (0.48) ALOX5APHSD11B1MAOB
SCHEMBL790990 0.73 ALOX5AP (0.67) ALOX5APHSD11B1
SCHEMBL24064265 0.71 GAA (0.46) ALOX5APHSD11B1ALOX15
SCHEMBL3859941 0.71 HSD11B1 (0.42) ALOX5APHSD11B1SIGMAR1
SCHEMBL4284677 0.71 MAOB (0.47) MAOBLMNAHTTSLC6A3SLC6A2
SCHEMBL5437376 0.71 MAOB (0.47) MAOBSLC6A3SLC6A2SLC6A4AKR1C1
SCHEMBL28868714 0.71 MAOB (0.66) MAOBLMNAHTTSLC6A3SLC6A2
SCHEMBL11028108 0.70 ALOX5AP (0.48) ALOX5APMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8338623-B2 N-{3-[(2,5-dimethylmorpholin-4-yl)carbonyl]-4,7-dihydro-5H-thieno[2,3-c]pyran-2-yl}hexahydro-2,5-methanopentalene-3a(1H)-carboxamide; CB2 receptors ligand; antiinflammatory, analgesic agent; autoimmune diseases; neuroprotectants ABBVIE INC. (US) 2012-12-25 US disclosed
EP-2176219-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS Abbott Laboratories (US) 2010-04-21 EP disclosed
WO-2009009550-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2009-01-15 WO disclosed
US-20090018114-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2009-01-15 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-20090018114-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS CNR1, CNR2, GPR18 ALOX5AP 813/4885HSD11B1 1446/4885MAOB 961/4885

“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.