SCHEMBL3745498

SCHEMBL3745498

Cc1sc(NC(=O)C2C(C)(C)C2(C)C)c(C(=O)O)c1C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCC1 P33527 3/20 0.51
GRIN2C Q14957 1/20 0.49
ALDH1A1 P00352 7/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
KDM4E B2RXH2 4/20 0.45
MAPT P10636 6/20 0.43
HPGD P15428 3/20 0.43
LMNA P02545 2/20 0.43
PLA2G1B P04054 1/20 0.43
MAPK1 P28482 1/20 0.43
ATG4B Q9Y4P1 1/20 0.43
POLB P06746 2/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
TP53 P04637 1/20 0.43
EGLN1 Q9GZT9 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
TDP1 Q9NUW8 1/20 0.41
AIP O00170 1/20 0.41
SGTA O43765 1/20 0.41

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
SCHEMBL4091316 0.86 ALDH1A1 (0.58) GRIN2CALDH1A1L3MBTL1KDM4EMAPT
SCHEMBL4080989 0.81 CNR2 (0.46) ABCC1ALDH1A1KDM4EMAPTHPGD
SCHEMBL4080979 0.81 ALDH1A1 (0.60) ALDH1A1L3MBTL1KDM4EMAPTHPGD
SCHEMBL3767865 0.81 MAPK1 (0.66) ALDH1A1L3MBTL1KDM4EMAPTHPGD
SCHEMBL4084014 0.80 ALDH1A1 (0.46) ALDH1A1KDM4EMAPTHPGDLMNA
SCHEMBL4091334 0.80 ALDH1A1 (0.46) ABCC1GRIN2CALDH1A1KDM4EMAPT
SCHEMBL4084751 0.79 CNR2 (0.58) ABCC1ALDH1A1KDM4EMAPTHPGD
SCHEMBL4091354 0.79 ALDH1A1 (0.47) ABCC1ALDH1A1KDM4EMAPTHPGD
SCHEMBL4085841 0.79 ALDH1A1 (0.44) ABCC1ALDH1A1KDM4EMAPTHPGD
SCHEMBL4091302 0.79 ALDH1A1 (0.48) GRIN2CALDH1A1KDM4EMAPTHPGD

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 5 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
CN-101743223-A Novel compounds as cannabinoid receptor ligands ABBOTT LAB 2010-06-16 CN 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 ABCC1 2675/4885GRIN2C 110/4885ALDH1A1 1504/4885

“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.