SCHEMBL283743

SCHEMBL283743

COCCCn1nc(C(C)(C)C)cc1NC(=O)C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 7/20 0.43
CNR1 P21554 6/20 0.43
MAPK14 Q16539 6/20 0.41
TP53 P04637 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
NTRK1 P04629 1/20 0.39
MAPT P10636 2/20 0.38
MAPK1 P28482 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
IRAK4 Q9NWZ3 1/20 0.37
LMNA P02545 1/20 0.37
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL476143 0.86 CNR2 (0.51) CNR2CNR1MAPK14MAPTLMNA
SCHEMBL283286 0.85 CNR1 (0.56) CNR2CNR1MAPK14
SCHEMBL284059 0.84 MAPK14 (0.45) CNR2CNR1MAPK14MAPTMAPK1
SCHEMBL476129 0.80 BRAF (0.42) CNR2CNR1MAPK14MAPTLMNA
SCHEMBL5201677 0.80 MAPK14 (0.43) CNR2MAPK14MAPTMAPK1NPSR1
SCHEMBL4139014 0.78 CNR2 (0.56) CNR2MAPK14MAPTLMNA
SCHEMBL283058 0.76 MAPK14 (0.53) CNR2CNR1MAPK14
SCHEMBL283651 0.74 MAPK14 (0.49) MAPK14
SCHEMBL283980 0.74 MAPK14 (0.49) MAPK14
SCHEMBL16739349 0.73 CNR1 (0.62) CNR2CNR1MAPK14

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 14 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
EP-2411370-B1 COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS ABBVIE INC (US) 2015-04-22 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-2411370-A1 COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS Abbott Laboratories (US) 2012-02-01 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-2010111573-A1 COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2010-09-30 WO 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 CNR2 2/4885CNR1 1/4885MAPK14 2205/4885
US-20100069349-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS CNR1, CNR2, NPY1R CNR2 2/4885CNR1 1/4885MAPK14 2205/4885
US-20100249087-A1 COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS CNR1, CNR2, GPR18 CNR2 2/4885CNR1 1/4885MAPK14 2785/4885

“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.