SCHEMBL4090895

SCHEMBL4090895

CCOC(=O)c1c(NC(=O)C2(c3ccccc3)CCCCC2)sc2c1CCOC2

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR2 O60603 5/20 0.55
PDE4D Q08499 1/20 0.55
NPSR1 Q6W5P4 6/20 0.53
ALDH1A1 P00352 6/20 0.53
LMNA P02545 2/20 0.53
ALOX12 P18054 1/20 0.53
CNR2 P34972 1/20 0.53
SMN1; SMN2 Q16637 2/20 0.52
MEN1 O00255 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
KMT2A Q03164 1/20 0.52
HSD17B10 Q99714 4/20 0.51
MAPT P10636 3/20 0.51
TP53 P04637 1/20 0.51
HPGD P15428 4/20 0.50
KDM4E B2RXH2 3/20 0.50

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
SCHEMBL4085480 0.99 PDE4D (0.55) TLR2PDE4DNPSR1ALDH1A1LMNA
SCHEMBL4083898 0.91 TLR2 (0.53) TLR2PDE4DNPSR1ALDH1A1LMNA
SCHEMBL4091708 0.91 ALDH1A1 (0.55) TLR2PDE4DNPSR1ALDH1A1LMNA
SCHEMBL4091378 0.90 MAPT (0.47) TLR2PDE4DNPSR1ALDH1A1LMNA
SCHEMBL4080908 0.89 TLR2 (0.50) TLR2PDE4DNPSR1ALDH1A1LMNA
SCHEMBL4090883 0.87 RAB7A (0.57) ALDH1A1LMNACNR2SMN1; SMN2MEN1
SCHEMBL4091407 0.86 PTPRC (0.58) ALDH1A1LMNACNR2SMN1; SMN2MEN1
SCHEMBL4094765 0.85 CNR2 (0.62) CNR2TP53ANO1
SCHEMBL4090464 0.84 CNR2 (0.53) TLR2NPSR1ALDH1A1LMNACNR2
SCHEMBL4090095 0.84 CNR2 (0.63) CNR2TP53ANO1

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 TLR2 1104/4885PDE4D 1463/4885NPSR1 8/4885

“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.