SCHEMBL4085841

SCHEMBL4085841

Cc1sc(NC(=O)C2C(C)(C)C2(C)C)c(C(=O)N2CCC2)c1C

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.44
HSD17B10 Q99714 3/20 0.44
TSHR P16473 1/20 0.44
RECQL P46063 1/20 0.44
XIAP P98170 1/20 0.44
KDM4E B2RXH2 5/20 0.43
MAPT P10636 5/20 0.43
HPGD P15428 4/20 0.43
ABCC1 P33527 2/20 0.41
EGLN1 Q9GZT9 1/20 0.40
KMT2A Q03164 2/20 0.39
LMNA P02545 2/20 0.39
MEN1 O00255 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
CNR2 P34972 1/20 0.38
POLB P06746 1/20 0.37
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL4091354 0.97 ALDH1A1 (0.47) ALDH1A1HSD17B10TSHRRECQLXIAP
SCHEMBL4091485 0.96 ALDH1A1 (0.49) ALDH1A1HSD17B10TSHRRECQLXIAP
SCHEMBL3756475 0.90 ALDH1A1 (0.40) ALDH1A1HSD17B10TSHRRECQLXIAP
SCHEMBL3761447 0.89 ABCC1 (0.55) ALDH1A1HSD17B10TSHRKDM4EMAPT
SCHEMBL4084783 0.89 MAPT (0.47) ALDH1A1HSD17B10TSHRRECQLXIAP
SCHEMBL4094455 0.87 ABCC1 (0.41) ALDH1A1HSD17B10TSHRRECQLXIAP
SCHEMBL4090854 0.82 ALDH1A1 (0.41) ALDH1A1HSD17B10KDM4EMAPTHPGD
SCHEMBL3745498 0.79 ABCC1 (0.51) ALDH1A1KDM4EMAPTHPGDABCC1
SCHEMBL4091316 0.77 ALDH1A1 (0.58) ALDH1A1HSD17B10KDM4EMAPTHPGD
SCHEMBL4090782 0.76 KMT2A (0.52) HSD17B10TSHRMAPTKMT2ALMNA

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 1504/4885HSD17B10 1768/4885TSHR 463/4885

“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.