SCHEMBL284059

SCHEMBL284059

CCCn1nc(C(C)(C)C)cc1NC(=O)C(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 11/20 0.45
CNR2 P34972 5/20 0.44
CNR1 P21554 4/20 0.44
BRAF P15056 1/20 0.44
MAPT P10636 3/20 0.40
LMNA P02545 1/20 0.40
MAPK13 O15264 1/20 0.40
MAPK12 P53778 1/20 0.40
MAPK11 Q15759 1/20 0.40
MAPK1 P28482 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
JAK2 O60674 1/20 0.38

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
SCHEMBL476129 0.93 BRAF (0.42) MAPK14CNR2CNR1BRAFMAPT
SCHEMBL476143 0.92 CNR2 (0.51) MAPK14CNR2CNR1BRAFMAPT
SCHEMBL283286 0.91 CNR1 (0.56) MAPK14CNR2CNR1
SCHEMBL5201677 0.85 MAPK14 (0.43) MAPK14CNR2BRAFMAPTLMNA
SCHEMBL283743 0.84 CNR2 (0.43) MAPK14CNR2CNR1MAPTLMNA
SCHEMBL4139014 0.83 CNR2 (0.56) MAPK14CNR2MAPTLMNAMAPK13
SCHEMBL283058 0.81 MAPK14 (0.53) MAPK14CNR2CNR1MAPK13
SCHEMBL283651 0.79 MAPK14 (0.49) MAPK14MAPK13MAPK12MAPK11
SCHEMBL283980 0.79 MAPK14 (0.49) MAPK14MAPK13
SCHEMBL16739349 0.78 CNR1 (0.62) MAPK14CNR2CNR1JAK2

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-8288428-B2 Compounds as cannabinoid receptor ligands ABBOTT LABORATORIES (US) 2012-10-16 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-20100249087-A1 COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2010-09-30 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 (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-20100069348-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS CNR1, CNR2, NPY1R MAPK14 2205/4885CNR2 2/4885CNR1 1/4885
US-20100069349-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS CNR1, CNR2, NPY1R MAPK14 2205/4885CNR2 2/4885CNR1 1/4885
US-20100249087-A1 COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS CNR1, CNR2, GPR18 MAPK14 2785/4885CNR2 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.