SCHEMBL4091316

SCHEMBL4091316

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

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 12/20 0.58
MAPT P10636 6/20 0.58
HPGD P15428 4/20 0.58
KDM4E B2RXH2 4/20 0.58
AIP O00170 1/20 0.57
SGTA O43765 1/20 0.57
TOMM70 O94826 1/20 0.57
STIP1 P31948 1/20 0.57
PPP5C P53041 1/20 0.57
FKBP4 Q02790 1/20 0.57
PPID Q08752 1/20 0.57
FKBP5 Q13451 1/20 0.57
FKBP8 Q14318 1/20 0.57
TOMM34 Q15785 1/20 0.57
DNAJC7 Q99615 1/20 0.57
AIPL1 Q9NZN9 1/20 0.57
STUB1 Q9UNE7 1/20 0.57
KMT2A Q03164 3/20 0.56
HSD17B10 Q99714 2/20 0.54
APOBEC3G Q9HC16 1/20 0.54

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
SCHEMBL3745498 0.86 ABCC1 (0.51) ALDH1A1MAPTHPGDKDM4EAIP
SCHEMBL4080989 0.80 CNR2 (0.46) ALDH1A1MAPTHPGDKDM4EAIP
SCHEMBL3767865 0.80 MAPK1 (0.66) ALDH1A1MAPTHPGDKDM4EKMT2A
SCHEMBL4080979 0.80 ALDH1A1 (0.60) ALDH1A1MAPTHPGDKDM4EHSD17B10
SCHEMBL4084014 0.79 ALDH1A1 (0.46) ALDH1A1MAPTHPGDKDM4ESMN1; SMN2
SCHEMBL11324603 0.78 AIP (0.66) ALDH1A1MAPTHPGDKDM4EAIP
SCHEMBL4085841 0.77 ALDH1A1 (0.44) ALDH1A1MAPTHPGDKDM4EKMT2A
SCHEMBL4091354 0.77 ALDH1A1 (0.47) ALDH1A1MAPTHPGDKDM4EKMT2A
SCHEMBL4084751 0.77 CNR2 (0.58) ALDH1A1MAPTHPGDKDM4EAIP
SCHEMBL4091302 0.77 ALDH1A1 (0.48) ALDH1A1MAPTHPGDKDM4EHSD17B10

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 2 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
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 ALDH1A1 1504/4885MAPT 2527/4885HPGD 1873/4885

“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.