SCHEMBL283715

SCHEMBL283715

CC(C)(C)c1cc(N)n(CCCC(F)(F)F)n1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.39
CNR2 P34972 6/20 0.37
CNR1 P21554 5/20 0.37
CDK9 P50750 1/20 0.36
DYRK1A Q13627 1/20 0.36
DYRK2 Q92630 1/20 0.36
GRN P28799 4/20 0.33
SORT1 Q99523 4/20 0.33
ALDH1A1 P00352 1/20 0.33
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
MAPK14 Q16539 1/20 0.33
PGR P06401 1/20 0.31
NR3C2 P08235 1/20 0.31
POLB P06746 1/20 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
SCHEMBL284523 0.90 KDM4E (0.41) KDM4ECNR2CNR1CDK9DYRK1A
SCHEMBL15069908 0.83 KDM4E (0.42) KDM4ECNR2CNR1CDK9DYRK1A
SCHEMBL282922 0.82 CNR1 (0.49) KDM4ECNR2CNR1GRNSORT1
SCHEMBL15007149 0.81 CNR1 (0.42) KDM4ECNR2CNR1GRNSORT1
SCHEMBL284028 0.81 CNR1 (0.55) KDM4ECNR2CNR1
SCHEMBL283910 0.78 KDM4E (0.44) KDM4ECNR2CNR1GRNSORT1
SCHEMBL284110 0.78 CNR1 (0.40) KDM4ECNR2CNR1CDK9DYRK1A
SCHEMBL1924672 0.77 KDM4E (0.42) KDM4ECNR2CNR1GRNSORT1
SCHEMBL27821985 0.76 TLR7 (0.36) CNR2CNR1CDK9DYRK1ADYRK2
SCHEMBL22505758 0.76 KDM4E (0.41) KDM4ECNR2CNR1GRNSORT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2428507-B1 Cannabinoid receptor ligands ABBVIE BAHAMAS LTD (BS) 2015-10-21 EP disclosed
EP-2896615-A1 Cannabinoid receptor ligands AbbVie Bahamas Limited (BS) 2015-07-22 EP disclosed
US-8859596-B2 Compounds as cannabinoid receptor ligands ABBVIE INC. (US) 2014-10-14 US disclosed
US-8419847-B2 UV or EB curing screen printing inks containing a high amount of renewable/sustainable material Sun Chemicals BV (NL) 2013-04-16 US disclosed
US-8188135-B2 Compounds as cannabinoid receptor ligands ABBOTT LABORATORIES (US) 2012-05-29 US disclosed
EP-2428507-A2 Cannabinoid receptor ligands Abbott Laboratories (US) 2012-03-14 EP disclosed
EP-2334646-A2 SUBSTITUTED BENZAMIDES AS CANNABINOID RECEPTOR LIGANDS Abbott Laboratories (US) 2011-06-22 EP disclosed
US-20110139022-A1 UV OR EB CURING SCREEN PRINTING INKS CONTAINING A HIGH AMOUNT OF RENEWABLE/SUSTAINABLE MATERIAL SUN CHEMICAL BV (NL) 2011-06-16 US disclosed
WO-2010033543-A2 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2010-03-25 WO disclosed
US-20100069348-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2010-03-18 US disclosed
US-20100069349-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2010-03-18 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-20100069348-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS CNR1, CNR2, NPY1R KDM4E 1649/4885CNR2 2/4885CNR1 1/4885
US-20100069349-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS CNR1, CNR2, NPY1R KDM4E 1649/4885CNR2 2/4885CNR1 1/4885

“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.