SCHEMBL4091575

SCHEMBL4091575

CC1(C(=O)Nc2sc3c(c2C(=O)N2CCOCC2)CCOC3)CCCCC1

nearest known ligand 0.62

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 16/20 0.62
ALDH1A1 P00352 2/20 0.62
TSHR P16473 1/20 0.62
CNR1 P21554 9/20 0.58
KDM4E B2RXH2 1/20 0.51
HSD17B10 Q99714 1/20 0.51
RORC P51449 1/20 0.49
KIF11 P52732 1/20 0.49

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
SCHEMBL4089799 0.86 PTPN1 (0.62) CNR2ALDH1A1CNR1
SCHEMBL4084199 0.81 CNR2 (0.62) CNR2ALDH1A1TSHRCNR1KDM4E
SCHEMBL4090464 0.80 CNR2 (0.53) CNR2ALDH1A1TSHRCNR1KDM4E
SCHEMBL4094969 0.80 CNR2 (0.81) CNR2ALDH1A1TSHRCNR1
SCHEMBL4080785 0.80 CNR2 (0.63) CNR2ALDH1A1TSHRCNR1KDM4E
SCHEMBL4091613 0.80 CNR2 (0.71) CNR2CNR1
SCHEMBL5467477 0.79 CFTR (0.60) CNR2ALDH1A1TSHRCNR1KDM4E
SCHEMBL4085590 0.78 ALDH1A1 (0.72) CNR2ALDH1A1TSHRCNR1KDM4E
SCHEMBL4084245 0.77 CNR2 (0.59) CNR2ALDH1A1TSHRCNR1KDM4E
SCHEMBL3684811 0.77 CNR2 (1.00) CNR2ALDH1A1TSHRCNR1

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 CNR2 2/4885ALDH1A1 1504/4885TSHR 463/4885

“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.