SCHEMBL4090830

SCHEMBL4090830

Cc1sc(NC(=O)C2C(C)(C)C2(C)C)c(C(=O)NCc2ccco2)c1C

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.61
TSHR P16473 6/20 0.48
HSD17B10 Q99714 4/20 0.48
USP2 O75604 2/20 0.48
ALOX15 P16050 2/20 0.48
HPGD P15428 7/20 0.48
KDM4E B2RXH2 3/20 0.48
GAA P10253 2/20 0.48
NPSR1 Q6W5P4 2/20 0.48
SAE1 Q9UBE0 1/20 0.48
UBA2 Q9UBT2 1/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
MAPK1 P28482 1/20 0.48
POLB P06746 4/20 0.46
TDP1 Q9NUW8 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
CASP1 P29466 1/20 0.46
LMNA P02545 1/20 0.44
MAPT P10636 2/20 0.44
PKM P14618 1/20 0.44

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
SCHEMBL4085942 0.77 CYP1A2 (0.40) ALDH1A1TSHRHSD17B10HPGDKDM4E
SCHEMBL4086554 0.76 CYP1A2 (0.50) ALDH1A1HSD17B10HPGDGAANPSR1
SCHEMBL4091044 0.76 ALDH1A1 (0.49) ALDH1A1TSHRHSD17B10ALOX15HPGD
SCHEMBL4080663 0.75 TAS1R3 (0.43) ALDH1A1HPGDKDM4EMAPK1POLB
SCHEMBL4092618 0.74 CYP1A2 (0.51) ALDH1A1TSHRHSD17B10USP2HPGD
SCHEMBL4090499 0.74 CNR2 (0.46) ALDH1A1HPGDKDM4EGAANPSR1
SCHEMBL4092577 0.74 CNR2 (0.51) ALDH1A1TSHRKDM4EGAAMAPK1
SCHEMBL4085526 0.74 CNR2 (0.47) ALDH1A1HSD17B10HPGDKDM4EPOLB
SCHEMBL4090413 0.74 NPC1 (0.55) ALDH1A1HSD17B10HPGDKDM4ENPSR1
SCHEMBL4091207 0.73 CNR2 (0.45) ALDH1A1HSD17B10HPGDKDM4ENPSR1

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 1504/4885TSHR 463/4885HSD17B10 1768/4885

“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.