SCHEMBL4084442

SCHEMBL4084442

CCOC(=O)c1c(NC(=O)C2C(C)(C)C2(C)C)sc2c1CCN(Cc1ccccc1)C2

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.70
LMNA P02545 5/20 0.70
ALDH1A1 P00352 5/20 0.70
SMN1; SMN2 Q16637 3/20 0.70
HPGD P15428 2/20 0.70
THRB P10828 1/20 0.70
ABCB1 P08183 1/20 0.66
HTT P42858 1/20 0.66
ABCG2 Q9UNQ0 1/20 0.66
MAPT P10636 4/20 0.66
MEN1 O00255 3/20 0.66
KMT2A Q03164 3/20 0.66
ADORA1 P30542 1/20 0.66
GAA P10253 1/20 0.61
CRHBP P24387 1/20 0.61
CRHR2 Q13324 1/20 0.61
CYP1A2 P05177 1/20 0.61
CYP3A4 P08684 1/20 0.61
CYP2D6 P10635 1/20 0.61
CYP2C9 P11712 1/20 0.61

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
SCHEMBL4080594 0.87 ALDH1A1 (0.63) KDM4ELMNAALDH1A1SMN1; SMN2HPGD
SCHEMBL28377356 0.86 MEN1 (0.73) KDM4ELMNAALDH1A1SMN1; SMN2HPGD
SCHEMBL4086784 0.85 KDM4E (0.55) KDM4ELMNAALDH1A1SMN1; SMN2HPGD
SCHEMBL4090478 0.85 KDM4E (0.54) KDM4ELMNAALDH1A1SMN1; SMN2HPGD
SCHEMBL4091348 0.84 KDM4E (0.55) KDM4ELMNAALDH1A1SMN1; SMN2HPGD
SCHEMBL4085554 0.83 ALDH1A1 (0.52) KDM4ELMNAALDH1A1SMN1; SMN2HPGD
SCHEMBL4084489 0.83 KDM4E (0.53) KDM4ELMNAALDH1A1SMN1; SMN2HPGD
SCHEMBL6204125 0.83 LMNA (0.70) KDM4ELMNAALDH1A1SMN1; SMN2HPGD
SCHEMBL4085865 0.82 KDM4E (0.68) KDM4EALDH1A1SMN1; SMN2HPGDHTT
SCHEMBL4085518 0.82 ALDH1A1 (0.51) KDM4ELMNAALDH1A1SMN1; SMN2HPGD

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 KDM4E 2443/4885LMNA 3611/4885ALDH1A1 1504/4885

“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.