SCHEMBL4089695

SCHEMBL4089695

CN(C)C(=O)c1c(NC(=O)C2C(C)(C)C2(C)C)sc2c1CCCC2

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.64
HTT P42858 1/20 0.64
KIF11 P52732 2/20 0.57
GAA P10253 1/20 0.55
KDM4E B2RXH2 4/20 0.52
MAPT P10636 3/20 0.52
HSD17B10 Q99714 2/20 0.52
FLT3 P36888 3/20 0.51
MEN1 O00255 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2C19 P33261 1/20 0.48
KMT2A Q03164 1/20 0.48
CNR2 P34972 2/20 0.47
RAB9A P51151 2/20 0.46
HPGD P15428 4/20 0.46
MDM2 Q00987 1/20 0.46
ABCC1 P33527 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
PTPN1 P18031 2/20 0.46
PTPRC P08575 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
SCHEMBL4086799 0.85 PTPN1 (0.63) ALDH1A1GAAKDM4EMAPTHSD17B10
SCHEMBL4094737 0.83 ATM (0.55) ALDH1A1KDM4EMAPTHSD17B10FLT3
SCHEMBL4091622 0.83 PTPN1 (0.63) ALDH1A1GAAKDM4EMAPTHSD17B10
SCHEMBL4093212 0.81 KDM4E (0.54) ALDH1A1GAAKDM4EMAPTHSD17B10
SCHEMBL4080576 0.80 KIF11 (0.63) ALDH1A1KIF11KDM4EMAPTHSD17B10
SCHEMBL3801320 0.80 CNR2 (0.72) ALDH1A1HTTKIF11GAAKDM4E
SCHEMBL4085782 0.80 CYP1A2 (0.71) ALDH1A1KDM4EMAPTHSD17B10FLT3
SCHEMBL4090439 0.80 CNR2 (0.50) ALDH1A1HTTKDM4EMAPTHSD17B10
SCHEMBL4084306 0.79 CNR1 (0.69) ALDH1A1HTTGAAKDM4EMAPT
SCHEMBL4090029 0.78 CNR2 (0.48) ALDH1A1GAAKDM4EMAPTHSD17B10

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 1504/4885HTT 3826/4885KIF11 4210/4885

“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.