SCHEMBL4086784

SCHEMBL4086784

CCOC(=O)c1c(NC(=O)C2C(C)(C)C2(C)C)sc2c1CCN(Cc1ccc(C)o1)C2

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.55
ALDH1A1 P00352 6/20 0.55
LMNA P02545 5/20 0.55
HPGD P15428 3/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
THRB P10828 1/20 0.55
KMT2A Q03164 6/20 0.51
MAPT P10636 5/20 0.51
MEN1 O00255 4/20 0.51
ABCB1 P08183 1/20 0.49
HTT P42858 1/20 0.49
ABCG2 Q9UNQ0 1/20 0.49
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
NPSR1 Q6W5P4 2/20 0.47
GAA P10253 2/20 0.47
POLB P06746 1/20 0.47

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
SCHEMBL4091348 0.86 KDM4E (0.55) KDM4EALDH1A1LMNAHPGDSMN1; SMN2
SCHEMBL4084442 0.85 KDM4E (0.70) KDM4EALDH1A1LMNAHPGDSMN1; SMN2
SCHEMBL4080594 0.85 ALDH1A1 (0.63) KDM4EALDH1A1LMNAHPGDSMN1; SMN2
SCHEMBL4090478 0.83 KDM4E (0.54) KDM4EALDH1A1LMNAHPGDSMN1; SMN2
SCHEMBL4084489 0.81 KDM4E (0.53) KDM4EALDH1A1LMNAHPGDSMN1; SMN2
SCHEMBL4085554 0.81 ALDH1A1 (0.52) KDM4EALDH1A1LMNAHPGDSMN1; SMN2
SCHEMBL4085865 0.80 KDM4E (0.68) KDM4EALDH1A1HPGDSMN1; SMN2KMT2A
SCHEMBL4085518 0.80 ALDH1A1 (0.51) KDM4EALDH1A1LMNAHPGDSMN1; SMN2
SCHEMBL4095620 0.74 ADORA1 (0.65) KDM4EALDH1A1LMNAHPGDSMN1; SMN2
SCHEMBL4084306 0.74 CNR1 (0.69) KDM4EALDH1A1LMNAHPGDSMN1; SMN2

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 2443/4885ALDH1A1 1504/4885LMNA 3611/4885

“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.