SCHEMBL4091322

SCHEMBL4091322

CCOC(=O)c1c(NC(=O)C23CC4CC(CC2C4)C3)sc2c1C1CCN2CC1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.56
HPGD P15428 2/20 0.56
KDM4E B2RXH2 2/20 0.56
MEN1 O00255 1/20 0.56
POLB P06746 1/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
HTT P42858 1/20 0.56
KMT2A Q03164 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
GAA P10253 1/20 0.53
CNR2 P34972 14/20 0.47
CNR1 P21554 9/20 0.47
MAPT P10636 2/20 0.37
MAPK1 P28482 1/20 0.36

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
SCHEMBL4091261 0.90 KDM4E (0.47) ALDH1A1HPGDKDM4EMEN1POLB
SCHEMBL4090931 0.85 CNR2 (0.45) ALDH1A1HPGDKDM4EMEN1POLB
SCHEMBL4090102 0.84 CNR2 (0.61) ALDH1A1HPGDKDM4EMEN1POLB
SCHEMBL4091337 0.82 CNR2 (0.49) ALDH1A1HPGDKDM4EMEN1POLB
SCHEMBL4085420 0.79 ALDH1A1 (0.62) ALDH1A1HPGDKDM4EMEN1POLB
SCHEMBL4090384 0.78 CNR2 (0.52) KMT2ACNR2CNR1
SCHEMBL4090700 0.76 CNR2 (0.53) ALDH1A1KDM4EMEN1KMT2ACNR2
SCHEMBL4083995 0.75 CNR2 (0.80) ALDH1A1HPGDKDM4EPOLBHTT
SCHEMBL927375 0.75 CNR2 (0.49) ALDH1A1HTTKMT2ACNR2CNR1
SCHEMBL4086717 0.75 CNR2 (0.54) ALDH1A1HPGDKDM4ESMN1; SMN2NPSR1

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 1504/4885HPGD 1873/4885KDM4E 2443/4885

“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.