SCHEMBL283574

SCHEMBL283574

C=CCn1nc(C(C)(C)C)cc1NC(=O)c1cc(C(F)(F)F)ccc1F

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RET P07949 1/20 0.40
MAPT P10636 3/20 0.39
NPSR1 Q6W5P4 2/20 0.39
GAA P10253 1/20 0.39
P2RY14 Q15391 2/20 0.39
DDR1 Q08345 1/20 0.39
MAPK14 Q16539 2/20 0.38
BACE1 P56817 1/20 0.38
MAPK1 P28482 1/20 0.37
CNR2 P34972 3/20 0.37
ALDH1A1 P00352 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36
CNR1 P21554 1/20 0.36
TMPRSS4 Q9NRS4 1/20 0.36
TRPV1 Q8NER1 1/20 0.36
KDM4E B2RXH2 1/20 0.36
HPGD P15428 1/20 0.36
ADCY8 P40145 1/20 0.35
ADCY1 Q08828 1/20 0.35

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
SCHEMBL283719 0.85 RET (0.41) RETMAPTNPSR1GAAP2RY14
SCHEMBL283889 0.84 CNR2 (0.46) CNR2CNR1
SCHEMBL284405 0.83 CNR2 (0.45) RETMAPTNPSR1GAAP2RY14
SCHEMBL283706 0.83 NPSR1 (0.55) MAPTNPSR1GAAP2RY14MAPK1
SCHEMBL288529 0.82 P2RY14 (0.48) P2RY14MAPK14CNR2CNR1
SCHEMBL283144 0.82 P2RY14 (0.48) P2RY14MAPK14CNR2CNR1
SCHEMBL283367 0.78 CNR2 (0.60) CNR2
SCHEMBL2813991 0.77 CNR2 (0.46) RETMAPTGAAMAPK14MAPK1
SCHEMBL17713941 0.69 CNR2 (0.57) P2RY14MAPK14CNR2
SCHEMBL2812525 0.68 CNR2 (0.48) MAPTMAPK14CNR2CNR1

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 7 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-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
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 RET 704/4885MAPT 3688/4885NPSR1 16/4885
US-20100069349-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS CNR1, CNR2, NPY1R RET 704/4885MAPT 3688/4885NPSR1 16/4885

“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.