SCHEMBL4094455

SCHEMBL4094455

Cc1sc(NC(=O)C2C(C)(C)C2(C)C)c(C(=O)N2CCCC(C)C2)c1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCC1 P33527 2/20 0.41
ALDH1A1 P00352 5/20 0.40
GRM5 P41594 3/20 0.40
MAPT P10636 2/20 0.40
KDM4E B2RXH2 2/20 0.40
RECQL P46063 2/20 0.40
HPGD P15428 2/20 0.40
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39
TSHR P16473 1/20 0.37
XIAP P98170 1/20 0.37
HSD17B10 Q99714 1/20 0.37
NAMPT P43490 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
POLB P06746 2/20 0.37
MEN1 O00255 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 0.87 ALDH1A1 (0.47) ABCC1ALDH1A1MAPTKDM4ERECQL
SCHEMBL4085841 0.87 ALDH1A1 (0.44) ABCC1ALDH1A1MAPTKDM4ERECQL
SCHEMBL4091485 0.86 ALDH1A1 (0.49) ABCC1ALDH1A1MAPTKDM4ERECQL
SCHEMBL3761447 0.81 ABCC1 (0.55) ABCC1ALDH1A1MAPTKDM4EHPGD
SCHEMBL3756475 0.80 ALDH1A1 (0.40) ABCC1ALDH1A1MAPTKDM4ERECQL
SCHEMBL3745498 0.75 ABCC1 (0.51) ABCC1ALDH1A1MAPTKDM4EHPGD
SCHEMBL4090084 0.72 ALDH1A1 (0.47) ABCC1ALDH1A1MAPTKDM4EHPGD
SCHEMBL4091316 0.71 ALDH1A1 (0.58) ALDH1A1MAPTKDM4EHPGDHSD17B10
SCHEMBL4084014 0.71 ALDH1A1 (0.46) ALDH1A1MAPTKDM4EHPGDSMN1; SMN2
SCHEMBL4089512 0.71 TAS1R3 (0.47) ABCC1ALDH1A1MAPTKDM4EHPGD

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 ABCC1 2675/4885ALDH1A1 1504/4885GRM5 119/4885

“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.