SCHEMBL4085518

SCHEMBL4085518

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

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.51
KDM4E B2RXH2 7/20 0.51
MAPT P10636 6/20 0.51
HPGD P15428 5/20 0.51
KMT2A Q03164 5/20 0.51
MEN1 O00255 4/20 0.51
NPSR1 Q6W5P4 7/20 0.49
SMN1; SMN2 Q16637 4/20 0.49
TSHR P16473 3/20 0.49
HTT P42858 2/20 0.49
ALOX15 P16050 1/20 0.49
LMNA P02545 3/20 0.49
THRB P10828 1/20 0.49
TP53 P04637 3/20 0.49
L3MBTL1 Q9Y468 2/20 0.48
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 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
SCHEMBL4080594 0.88 ALDH1A1 (0.63) ALDH1A1KDM4EMAPTHPGDKMT2A
SCHEMBL4090478 0.87 KDM4E (0.54) ALDH1A1KDM4EMAPTHPGDKMT2A
SCHEMBL4085554 0.85 ALDH1A1 (0.52) ALDH1A1KDM4EMAPTHPGDKMT2A
SCHEMBL4084489 0.85 KDM4E (0.53) ALDH1A1KDM4EMAPTHPGDKMT2A
SCHEMBL4085865 0.83 KDM4E (0.68) ALDH1A1KDM4EMAPTHPGDKMT2A
SCHEMBL4084442 0.82 KDM4E (0.70) ALDH1A1KDM4EMAPTHPGDKMT2A
SCHEMBL4086784 0.80 KDM4E (0.55) ALDH1A1KDM4EMAPTHPGDKMT2A
SCHEMBL4095620 0.78 ADORA1 (0.65) ALDH1A1KDM4EMAPTHPGDKMT2A
SCHEMBL4084162 0.78 MAPT (0.72) ALDH1A1KDM4EMAPTHPGDKMT2A
SCHEMBL4084306 0.78 CNR1 (0.69) ALDH1A1KDM4EMAPTHPGDNPSR1

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 1504/4885KDM4E 2443/4885MAPT 2527/4885

“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.