SCHEMBL344836

SCHEMBL344836

Cc1cn(CC2CN(C(=O)OC(C)(C)C)C2)c(=N)s1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.42
NAMPT P43490 1/20 0.41
ACKR3 P25106 1/20 0.38
GLS O94925 2/20 0.35
GPR119 Q8TDV5 2/20 0.34
KDM4E B2RXH2 2/20 0.34
PKM P14618 1/20 0.34
FEN1 P39748 1/20 0.34
RORC P51449 1/20 0.34
USP7 Q93009 1/20 0.34
ADORA2A P29274 1/20 0.33
ADORA2B P29275 1/20 0.33
ADORA1 P30542 1/20 0.33
HTT P42858 1/20 0.33
ATM Q13315 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
SCHEMBL344472 0.87 NR1H2 (0.41) NR1H2NAMPTACKR3GLSGPR119
SCHEMBL23802316 0.72 NR1H2 (0.44) NR1H2NAMPTGPR119USP7
SCHEMBL19521310 0.71 NAMPT (0.46) NR1H2NAMPTKDM4ERORC
SCHEMBL23802315 0.70 NR1H2 (0.44) NR1H2NAMPTGPR119KDM4E
SCHEMBL16098021 0.70 NR1H2 (0.49) NR1H2NAMPTGPR119KDM4EPKM
SCHEMBL3001141 0.69 NR1H2 (0.58) NR1H2NAMPTKDM4EPKMRORC
SCHEMBL29206705 0.68 NR1H2 (0.50) NR1H2NAMPTGPR119KDM4E
SCHEMBL3450016 0.68 KDM4E (0.46) GPR119KDM4EPKMUSP7
SCHEMBL31108119 0.68 USP30 (0.43) NR1H2NAMPTKDM4ERORC
SCHEMBL447929 0.67 NR1H2 (0.60) NR1H2NAMPTKDM4EPKMRORC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8338467-B2 Compounds as cannabinoid receptor ligands ABBVIE INC. (US) 2012-12-25 US disclosed
US-20120015929-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2012-01-19 US disclosed
US-8058293-B2 Compounds as cannabinoid receptor ligands ABBOTT LABORATORIES (US) 2011-11-15 US disclosed
EP-2274306-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS Abbott Laboratories (US) 2011-01-19 EP disclosed
US-20090247500-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2009-10-01 US disclosed
WO-2009114566-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2009-09-17 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 (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-20120015929-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS CNR1, CNR2, OPRL1 NR1H2 107/4885NAMPT 3148/4885ACKR3 526/4885
US-20090247500-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS CNR1, CNR2, OPRL1 NR1H2 107/4885NAMPT 3148/4885ACKR3 526/4885

“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.