SCHEMBL966076

SCHEMBL966076

Cc1sc(=N)n(CC2CCOCC2)c1C

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RIPK3 Q9Y572 1/20 0.32
SIRT1 Q96EB6 1/20 0.32
SIRT3 Q9NTG7 1/20 0.32
SIRT5 Q9NXA8 1/20 0.32
FEN1 P39748 1/20 0.32
CNR2 P34972 3/20 0.31
BRD4 O60885 1/20 0.31
BAZ2A Q9UIF9 1/20 0.31
PDE1A P54750 5/20 0.31
PDE1B Q01064 5/20 0.31
PDE1C Q14123 5/20 0.31

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
SCHEMBL2484586 0.88 NOTUM (0.37) CNR2
SCHEMBL2169593 0.76 KMT2A (0.50)
SCHEMBL2169596 0.76 KMT2A (0.50)
Hydrochloric Acid SCHEMBL5050855 0.71 LMNA (0.40) CNR2
SCHEMBL963494 0.70 BRD4 (0.41) CNR2BRD4BAZ2A
SCHEMBL4901267 0.69 CNR2 (0.49) CNR2
SCHEMBL30866454 0.68 CNR2 (0.40) FEN1CNR2BRD4BAZ2APDE1A
SCHEMBL965111 0.66 CNR2 (0.42) CNR2
SCHEMBL23204977 0.62 PDE1A (0.44) CNR2BRD4BAZ2APDE1APDE1B
SCHEMBL23749733 0.62 USP2 (0.36) FEN1CNR2BRD4BAZ2APDE1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2024349-B1 COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF ABBVIE INC (US) 2017-08-02 EP disclosed
US-20150231141-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF ABBVIE INC (US) 2015-08-20 US disclosed
US-9006275-B2 Compounds as cannabinoid receptor ligands and uses thereof ABBVIE INC. (US) 2015-04-14 US disclosed
US-20110086855-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF ABBOTT LABORATORIES (US) 2011-04-14 US disclosed
US-7875639-B2 Compounds as cannabinoid receptor ligands and uses thereof ABBOTT LABORATORIES (US) 2011-01-25 US disclosed
EP-2024349-A2 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF Abbott Laboratories (US) 2009-02-18 EP disclosed
US-20080064699-A1 Such as N-[3-(2-methoxyethyl)-1,3-thiazol-2(3H)-ylidene]adamantane-1-carboxamide; neuropathic, nociceptive and/or inflammatory pain; neuroprotection ABBVIE INC. 2008-03-13 US disclosed
WO-2007140439-A2 COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF ABBOTT LABORATORIES (US) 2007-12-06 WO 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 (3 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-20150231141-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF CNR1, CNR2, OPRL1 RIPK3 1106/4885SIRT1 1234/4885SIRT3 1718/4885
US-20110086855-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF CNR1, CNR2, OPRL1 RIPK3 1106/4885SIRT1 1234/4885SIRT3 1718/4885
US-20080064699-A1 Such as N-[3-(2-methoxyethyl)-1,3-thiazol-2(3H)-ylidene]adamantane-1-carboxamide; neuropathic, nociceptive and/or inflammatory pain; neuroprotection OPRL1, OPRK1, OPRD1 RIPK3 1124/4885SIRT1 350/4885SIRT3 190/4885

“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.