SCHEMBL4091052

SCHEMBL4091052

CC(C)(C)OC(=O)N1CCc2sc(N)c(C(=O)O)c2C1

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 6/20 0.82
KDM4E B2RXH2 5/20 0.57
MAPT P10636 5/20 0.57
ALDH1A1 P00352 3/20 0.50
RAD52 P43351 1/20 0.50
NR1H2 P55055 1/20 0.45
ESR2 Q92731 1/20 0.41
GAA P10253 1/20 0.40
HPGD P15428 2/20 0.39
LMNA P02545 1/20 0.39
ALOX15 P16050 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ANO1 Q5XXA6 1/20 0.39
MEN1 O00255 1/20 0.39
GLA P06280 1/20 0.39
KMT2A Q03164 1/20 0.39
P2RX3 P56373 2/20 0.38
FABP4 P15090 1/20 0.38
FABP5 Q01469 1/20 0.38
PTGER4 P35408 1/20 0.37

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
SCHEMBL3499018 0.90 ADORA1 (1.00) ADORA1KDM4EMAPTALDH1A1RAD52
SCHEMBL938730 0.85 ADORA1 (0.84) ADORA1KDM4EMAPTALDH1A1GAA
SCHEMBL31166059 0.84 ADORA1 (0.61) ADORA1KDM4EMAPTNR1H2ESR2
SCHEMBL17006339 0.81 ADORA1 (0.68) ADORA1KDM4EMAPTALDH1A1RAD52
SCHEMBL21605391 0.81 MAPT (0.60) ADORA1KDM4EMAPTALDH1A1NR1H2
SCHEMBL351992 0.80 ADORA1 (0.82) ADORA1KDM4EMAPTALDH1A1RAD52
SCHEMBL6425010 0.79 ADORA1 (0.55) ADORA1KDM4EMAPTNR1H2ESR2
SCHEMBL27418724 0.78 ADORA1 (0.53) ADORA1KDM4EMAPTALDH1A1GAA
SCHEMBL13739529 0.78 ADORA1 (0.78) ADORA1KDM4EMAPTALDH1A1RAD52
SCHEMBL13037555 0.78 ADORA1 (0.75) ADORA1KDM4EMAPTNR1H2ESR2

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 ADORA1 364/4885KDM4E 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.