SCHEMBL283144

SCHEMBL283144

CC(C)(C)c1cc(NC(=O)c2cc(C(F)(F)F)ccc2F)n(CC2CCC2)n1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
P2RY14 Q15391 3/20 0.48
MAPK14 Q16539 6/20 0.48
CNR2 P34972 5/20 0.46
CNR1 P21554 2/20 0.44
CRHR1 P34998 6/20 0.44
CRHR2 Q13324 1/20 0.44
MAPK13 O15264 2/20 0.44

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
SCHEMBL288529 0.98 P2RY14 (0.48) P2RY14MAPK14CNR2CNR1CRHR1
SCHEMBL17713941 0.87 CNR2 (0.57) P2RY14MAPK14CNR2CRHR1CRHR2
SCHEMBL283367 0.87 CNR2 (0.60) CNR2
SCHEMBL2813991 0.84 CNR2 (0.46) MAPK14CNR2CNR1CRHR1CRHR2
SCHEMBL283719 0.82 RET (0.41) P2RY14MAPK14CNR2CNR1
SCHEMBL283574 0.82 RET (0.40) P2RY14MAPK14CNR2CNR1
SCHEMBL283889 0.82 CNR2 (0.46) CNR2CNR1
SCHEMBL284405 0.81 CNR2 (0.45) P2RY14MAPK14CNR2CNR1
SCHEMBL283706 0.81 NPSR1 (0.55) P2RY14
SCHEMBL283980 0.78 MAPK14 (0.49) P2RY14MAPK14MAPK13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3212241-B1 RADIOLABELED CANNABINOID RECEPTOR 2 LIGAND HOFFMANN LA ROCHE (CH) 2019-05-08 EP disclosed
US-10227308-B2 Radiolabeled cannabinoid receptor 2 ligand HOFFMANN-LA ROCHE INC. (US) 2019-03-12 US disclosed
US-10227308-B2 Radiolabeled cannabinoid receptor 2 ligand HOFFMANN-LA ROCHE INC. (US) 2019-03-12 US disclosed
EP-3212241-A1 RADIOLABELED CANNABINOID RECEPTOR 2 LIGAND F. Hoffmann-La Roche AG (CH) 2017-09-06 EP disclosed
US-20170166534-A1 RADIOLABELED CANNABINOID RECEPTOR 2 LIGAND HOFFMANN-LA ROCHE INC. (US) 2017-06-15 US disclosed
US-20170166534-A1 RADIOLABELED CANNABINOID RECEPTOR 2 LIGAND HOFFMANN-LA ROCHE INC. (US) 2017-06-15 US disclosed
WO-2016066534-A1 RADIOLABELED CANNABINOID RECEPTOR 2 LIGAND F. HOFFMANN-LA ROCHE AG (CH) 2016-05-06 WO disclosed
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-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
CN-102216277-A Substituted benzamides as cannabinoid receptor ligands ABBOTT LAB 2011-10-12 CN 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 (4 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 P2RY14 169/4885MAPK14 2205/4885CNR2 2/4885
US-20100069349-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS CNR1, CNR2, NPY1R P2RY14 169/4885MAPK14 2205/4885CNR2 2/4885
US-10227308-B2 Radiolabeled cannabinoid receptor 2 ligand CNR1, CNR2, GPR174 P2RY14 259/4885MAPK14 3149/4885CNR2 2/4885
US-20170166534-A1 RADIOLABELED CANNABINOID RECEPTOR 2 LIGAND CNR1, CNR2, GPR174 P2RY14 259/4885MAPK14 3149/4885CNR2 2/4885

“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.