SCHEMBL4090854

SCHEMBL4090854

Cc1sc(NC(=O)C2C(C)(C)C2(C)C)c(C(=O)N2CCCC2C)c1C

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 12/20 0.41
MAPT P10636 6/20 0.41
KDM4E B2RXH2 6/20 0.41
HPGD P15428 3/20 0.41
RORC P51449 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
LMNA P02545 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
GAA P10253 3/20 0.37
EGLN1 Q9GZT9 1/20 0.37
ABCC1 P33527 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
USP2 O75604 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HSD17B10 Q99714 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
SCHEMBL4094455 0.82 ABCC1 (0.41) ALDH1A1MAPTKDM4EHPGDSMN1; SMN2
SCHEMBL4091354 0.82 ALDH1A1 (0.47) ALDH1A1MAPTKDM4EHPGDLMNA
SCHEMBL4085841 0.82 ALDH1A1 (0.44) ALDH1A1MAPTKDM4EHPGDLMNA
SCHEMBL4084783 0.81 MAPT (0.47) ALDH1A1MAPTKDM4EHPGDSMN1; SMN2
SCHEMBL4091485 0.81 ALDH1A1 (0.49) ALDH1A1MAPTKDM4EHPGDLMNA
SCHEMBL3756475 0.77 ALDH1A1 (0.40) ALDH1A1MAPTKDM4EHPGDLMNA
SCHEMBL3745498 0.74 ABCC1 (0.51) ALDH1A1MAPTKDM4EHPGDL3MBTL1
SCHEMBL14300733 0.73 ALDH1A1 (0.46) ALDH1A1MAPTL3MBTL1LMNASMN1; SMN2
SCHEMBL4091305 0.73 ALDH1A1 (0.47) ALDH1A1MAPTKDM4EHPGDL3MBTL1
SCHEMBL4090084 0.73 ALDH1A1 (0.47) ALDH1A1MAPTKDM4EHPGDL3MBTL1

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 2527/4885KDM4E 2443/4885

“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.