SCHEMBL4085590

SCHEMBL4085590

CC1(C)C(C(=O)Nc2sc3c(c2C(=O)N2CCOCC2)CCCC3)C1(C)C

nearest known ligand 0.72

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.72
TSHR P16473 1/20 0.72
CNR2 P34972 10/20 0.61
CNR1 P21554 6/20 0.61
KIF11 P52732 1/20 0.59
KMT2A Q03164 2/20 0.58
NOD1 Q9Y239 1/20 0.58
GAA P10253 1/20 0.56
POLB P06746 1/20 0.54
CASP6 P55212 1/20 0.54
KDM4E B2RXH2 1/20 0.53
HSD17B10 Q99714 1/20 0.53
RORC P51449 1/20 0.49
MAPK1 P28482 1/20 0.49
RECQL P46063 1/20 0.49
NPSR1 Q6W5P4 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
SCHEMBL4086799 0.80 PTPN1 (0.63) ALDH1A1KMT2ANOD1GAAPOLB
SCHEMBL3761447 0.79 ABCC1 (0.55) ALDH1A1TSHRCNR2CNR1KMT2A
SCHEMBL4132193 0.79 ALDH1A1 (0.73) ALDH1A1TSHRCNR2CNR1KIF11
SCHEMBL4086082 0.78 CNR2 (0.84) ALDH1A1TSHRCNR2CNR1KIF11
SCHEMBL12218514 0.78 CNR2 (0.82) ALDH1A1TSHRCNR2CNR1KIF11
SCHEMBL4091575 0.78 CNR2 (0.62) ALDH1A1TSHRCNR2CNR1KIF11
SCHEMBL4094737 0.77 ATM (0.55) ALDH1A1TSHRCNR2CNR1KMT2A
SCHEMBL4091622 0.77 PTPN1 (0.63) ALDH1A1KMT2AGAAPOLBKDM4E
SCHEMBL14156265 0.77 ALDH1A1 (0.67) ALDH1A1TSHRCNR2CNR1KIF11
SCHEMBL21603653 0.76 FLT3 (0.68) ALDH1A1TSHRCNR2CNR1KIF11

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 1504/4885TSHR 463/4885CNR2 2/4885

“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.