SCHEMBL4089512

SCHEMBL4089512

Cc1sc(NC(=O)C2C(C)(C)C2(C)C)c(C(=O)NC2CCCCCC2)c1C

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 6/20 0.47
TAS1R1 Q7RTX1 5/20 0.47
TAS1R2 Q8TE23 5/20 0.47
ALDH1A1 P00352 7/20 0.46
KDM4E B2RXH2 2/20 0.46
MAPT P10636 2/20 0.46
HPGD P15428 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
LMNA P02545 1/20 0.44
RAB9A P51151 2/20 0.43
ABCC1 P33527 1/20 0.43
NPC1 O15118 1/20 0.40

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
SCHEMBL4090084 0.99 ALDH1A1 (0.47) TAS1R3TAS1R1TAS1R2ALDH1A1KDM4E
SCHEMBL4091305 0.96 ALDH1A1 (0.47) TAS1R3TAS1R1TAS1R2ALDH1A1KDM4E
SCHEMBL4084014 0.94 ALDH1A1 (0.46) TAS1R3TAS1R1TAS1R2ALDH1A1KDM4E
SCHEMBL4080979 0.79 ALDH1A1 (0.60) ALDH1A1KDM4EMAPTHPGDL3MBTL1
SCHEMBL4084751 0.77 CNR2 (0.58) ALDH1A1KDM4EMAPTHPGDABCC1
SCHEMBL3745498 0.77 ABCC1 (0.51) ALDH1A1KDM4EMAPTHPGDL3MBTL1
SCHEMBL4080989 0.76 CNR2 (0.46) ALDH1A1KDM4EMAPTHPGDLMNA
SCHEMBL4091485 0.76 ALDH1A1 (0.49) ALDH1A1KDM4EMAPTHPGDSMN1; SMN2
SCHEMBL4091316 0.76 ALDH1A1 (0.58) ALDH1A1KDM4EMAPTHPGDL3MBTL1
SCHEMBL4085526 0.75 CNR2 (0.47) ALDH1A1KDM4EMAPTHPGD

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 TAS1R3 539/4885TAS1R1 501/4885TAS1R2 475/4885

“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.