SCHEMBL4095458

SCHEMBL4095458

CCC(CC)C(=O)Nc1sc2c(c1C(=O)NCCN(C)C)CCCC2

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 3/20 0.67
CYP1A2 P05177 2/20 0.59
CYP2C9 P11712 2/20 0.59
TP53 P04637 1/20 0.54
KMT2A Q03164 3/20 0.52
MEN1 O00255 2/20 0.52
RAD52 P43351 1/20 0.52
CNR2 P34972 6/20 0.50
CNR1 P21554 3/20 0.50
ATM Q13315 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
NPC1 O15118 1/20 0.48
ALDH1A1 P00352 2/20 0.48
HTT P42858 1/20 0.48
KDM4E B2RXH2 1/20 0.48
CYP3A4 P08684 1/20 0.48
HPGD P15428 1/20 0.48
CYP2C19 P33261 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
ABCC1 P33527 1/20 0.46

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
SCHEMBL3805059 0.83 CYP1A2 (0.48) KIF11CYP1A2CYP2C9TP53KMT2A
SCHEMBL4080576 0.81 KIF11 (0.63) KIF11CYP1A2CYP2C9TP53KMT2A
SCHEMBL4080878 0.81 CNR2 (0.74) KIF11CYP1A2CYP2C9TP53CNR2
SCHEMBL3802984 0.80 RORC (0.68) KMT2AMEN1ATML3MBTL1ALDH1A1
SCHEMBL4091340 0.80 CNR2 (0.64) KIF11CYP1A2CYP2C9CNR2CNR1
SCHEMBL8289513 0.77 KDM4E (0.70) CYP1A2KMT2AMEN1L3MBTL1NPC1
SCHEMBL21603761 0.77 CYP1A2 (0.61) KIF11CYP1A2CYP2C9TP53KMT2A
SCHEMBL3803060 0.77 ALDH1A1 (0.70) CYP1A2TP53CNR2CNR1ALDH1A1
SCHEMBL8288661 0.74 CYP1A2 (0.79) CYP1A2CYP2C9TP53KMT2AMEN1
SCHEMBL5459064 0.72 ALDH1A1 (0.63) CYP1A2KMT2AMEN1L3MBTL1NPC1

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 KIF11 4210/4885CYP1A2 847/4885CYP2C9 1535/4885

“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.