SCHEMBL945076

SCHEMBL945076

CSC(=NC#N)N[C@H]1C[C@@H]2CC[C@H]1C2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.44
SIGMAR1 Q99720 4/20 0.41
GRIN2D O15399 2/20 0.41
GRIN3B O60391 2/20 0.41
GRIN1 Q05586 2/20 0.41
GRIN2A Q12879 2/20 0.41
GRIN2B Q13224 2/20 0.41
GRIN2C Q14957 2/20 0.41
GRIN3A Q8TCU5 2/20 0.41
DPP4 P27487 2/20 0.41
HSD17B10 Q99714 1/20 0.39
EPHX2 P34913 3/20 0.39
EPHX1 P07099 1/20 0.38
TAS1R3 Q7RTX0 1/20 0.37
TAS1R1 Q7RTX1 1/20 0.37
TAS1R2 Q8TE23 1/20 0.37
ALDH1A1 P00352 3/20 0.34
HPGD P15428 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
GAA P10253 1/20 0.33

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
SCHEMBL945077 1.00 MAPT (0.44) MAPTSIGMAR1GRIN2DGRIN3BGRIN1
SCHEMBL945074 1.00 MAPT (0.44) MAPTSIGMAR1GRIN2DGRIN3BGRIN1
SCHEMBL944590 0.78 EPHX2 (0.41) SIGMAR1HSD17B10EPHX2EPHX1ALDH1A1
SCHEMBL9529412 0.75 HSD17B10 (0.40) MAPTSIGMAR1GRIN2DGRIN3BGRIN1
SCHEMBL3758190 0.73 ALDH1A1 (0.38) ALDH1A1
SCHEMBL3758189 0.73 ALDH1A1 (0.38) ALDH1A1
SCHEMBL3753176 0.70 ALDH1A1 (0.36) SIGMAR1EPHX1ALDH1A1HPGDSMN1; SMN2
SCHEMBL3753178 0.70 ALDH1A1 (0.36) SIGMAR1EPHX1ALDH1A1HPGDSMN1; SMN2
SCHEMBL13541964 0.70 EPHX2 (0.43) MAPTSIGMAR1GRIN2DGRIN3BGRIN1
SCHEMBL6720956 0.67 EPHX2 (0.52) MAPTSIGMAR1GRIN2DGRIN3BGRIN1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8865753-B2 Compounds as cannabinoid receptor ligands ABBVIE INC. (US) 2014-10-21 US disclosed
US-20110086832-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2011-04-14 US disclosed
US-7875640-B2 N-[(2Z)-3-butyl-4,5-dimethyl-1,3-thiazol-2(3H)-ylidene]-5-chloro-N',2-dimethoxybenzenecarboximidamide; CB2 receptors ligand; antiinflammatory, analgesic agent; autoimmune diseases; neuroprotectants ABBOTT LABORATORIES (US) 2011-01-25 US disclosed
US-20080242654-A1 N-[(2Z)-3-butyl-4,5-dimethyl-1,3-thiazol-2(3H)-ylidene]-5-chloro-N',2-dimethoxybenzenecarboximidamide; CB2 receptors ligand; antiinflammatory, analgesic agent; autoimmune diseases; neuroprotectants ABBOTT LABORATORIES (US) 2008-10-02 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 (2 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-20080242654-A1 N-[(2Z)-3-butyl-4,5-dimethyl-1,3-thiazol-2(3H)-ylidene]-5-chloro-N',2-dimethoxybenzenecarboximidamide; CB2 receptors ligand; antiinflammatory, analgesic agent; autoimmune diseases; neuroprotectants CNR2, CNR1, TRPV1 MAPT 3129/4885SIGMAR1 311/4885GRIN2D 299/4885
US-20110086832-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS CNR1, CNR2, GPR18 MAPT 1934/4885SIGMAR1 116/4885GRIN2D 375/4885

“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.