SCHEMBL4080873

SCHEMBL4080873

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.44
CYP1A2 P05177 2/20 0.42
CYP2D6 P10635 1/20 0.42
ALDH1A1 P00352 4/20 0.42
CNR2 P34972 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HTT P42858 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
HPGD P15428 2/20 0.40
HSD17B10 Q99714 1/20 0.40
KDM4E B2RXH2 3/20 0.39
MAPT P10636 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
POLB P06746 2/20 0.39
LMNA P02545 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL4094754 0.93 ALDH1A1 (0.43) TSHRCYP1A2CYP2D6ALDH1A1CNR2
SCHEMBL4084838 0.89 ALDH1A1 (0.49) CYP1A2CYP2D6ALDH1A1CNR2SMN1; SMN2
SCHEMBL4086207 0.85 CNR2 (0.46) TSHRCYP1A2CYP2D6ALDH1A1CNR2
SCHEMBL4085570 0.85 CNR2 (0.46) TSHRCYP1A2CYP2D6ALDH1A1CNR2
SCHEMBL4090499 0.84 CNR2 (0.46) CYP1A2CYP2D6ALDH1A1CNR2HTT
SCHEMBL4085526 0.84 CNR2 (0.47) CYP1A2CYP2D6ALDH1A1CNR2HPGD
SCHEMBL4092577 0.84 CNR2 (0.51) TSHRCYP1A2CYP2D6ALDH1A1CNR2
SCHEMBL4080504 0.83 CNR2 (0.50) CYP1A2CYP2D6ALDH1A1CNR2SMN1; SMN2
SCHEMBL4086661 0.83 CNR2 (0.45) CYP1A2CYP2D6ALDH1A1CNR2HTT
SCHEMBL4084751 0.81 CNR2 (0.58) CYP1A2CYP2D6ALDH1A1CNR2HPGD

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 TSHR 463/4885CYP1A2 847/4885CYP2D6 1121/4885

“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.