SCHEMBL4084846

SCHEMBL4084846

CS(=O)(=O)c1ccc(C(=O)N2CC(F)C2F)c(NC(=O)C23CC4CC(CC2C4)C3)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 1/20 0.35
CLK1 P49759 1/20 0.34
ALDH1A1 P00352 4/20 0.33
LMNA P02545 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
P2RX7 Q99572 2/20 0.32
POLB P06746 2/20 0.31
CACNA1B Q00975 2/20 0.31
CNR2 P34972 2/20 0.31
CA12 O43570 1/20 0.31
CA9 Q16790 1/20 0.31
RBP4 P02753 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
KDM4E B2RXH2 1/20 0.31
HIF1A Q16665 1/20 0.31
LRRK2 Q5S007 1/20 0.31
MAPT P10636 1/20 0.31
CNR1 P21554 1/20 0.30

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
SCHEMBL4090932 0.83 P2RX7 (0.41) ADORA1ALDH1A1LMNASMN1; SMN2P2RX7
SCHEMBL3686323 0.83 CNR2 (0.44) ADORA1CLK1ALDH1A1LMNASMN1; SMN2
SCHEMBL4092469 0.82 CNR2 (0.46) ADORA1ALDH1A1P2RX7CNR2MAPT
SCHEMBL3688775 0.69 CNR2 (0.46) ADORA1ALDH1A1LMNAP2RX7POLB
SCHEMBL4089688 0.69 GPR6 (0.34) CLK1ALDH1A1LMNASMN1; SMN2CACNA1B
SCHEMBL3679392 0.68 CNR2 (0.47) ADORA1ALDH1A1P2RX7CNR2CYP2C19
SCHEMBL3692835 0.67 CNR2 (0.48) ADORA1ALDH1A1P2RX7POLBCNR2
SCHEMBL4080014 0.66 CNR1 (0.44) ALDH1A1LMNASMN1; SMN2P2RX7POLB
SCHEMBL3685304 0.65 CNR2 (0.45) ALDH1A1SMN1; SMN2P2RX7CNR2CNR1
SCHEMBL8149507 0.65 CA9 (0.55) CLK1ALDH1A1LMNASMN1; SMN2P2RX7

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 364/4885CLK1 3017/4885ALDH1A1 1504/4885

“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.